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Popular Name: 3,5-dimethyl-1-(1-naphthylmethyl)pyrazole-4-carbaldehyde 3,5-dimethyl-1-(1-naphthylmethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.30 9.09 -13.54 0 3 0 35 264.328 3 ↓

Analogs

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Popular Name: [3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]methanol [3,5-dimethyl-1-(1-naphthylmethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.85 6.53 -11.2 1 3 0 38 266.344 3 ↓

Analogs

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Popular Name: [3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]methanamine [3,5-dimethyl-1-(1-naphthylmethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.70 7.25 -48.2 3 3 1 45 266.368 3 ↓
Hi High (pH 8-9.5) 2.70 6.84 -8.36 2 3 0 44 265.36 3 ↓

Analogs

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Popular Name: 1-[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]-N-methyl-methanamine 1-[3,5-dimethyl-1-(1-naphthylmet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.07 9.12 -43 2 3 1 34 280.395 4 ↓
Hi High (pH 8-9.5) 3.07 7.67 -7.86 1 3 0 30 279.387 4 ↓

Analogs

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Popular Name: 4-(chloromethyl)-3,5-dimethyl-1-(1-naphthylmethyl)pyrazole 4-(chloromethyl)-3,5-dimethyl-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.09 10.49 -9.1 0 2 0 18 284.79 3 ↓

Analogs

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Popular Name: N-[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]methanesulfonamide N-[3,5-dimethyl-1-(1-naphthylmet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 6.11 -16.14 1 5 0 64 329.425 4 ↓
Hi High (pH 8-9.5) 2.75 6.19 -43.13 0 5 -1 66 328.417 4 ↓

Analogs

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Popular Name: N-[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]butane-1-sulfonamide N-[3,5-dimethyl-1-(1-naphthylmet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.18 8.57 -15.9 1 5 0 64 371.506 7 ↓
Hi High (pH 8-9.5) 4.18 8.66 -44.96 0 5 -1 66 370.498 7 ↓

Analogs

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Popular Name: 1-(3-methoxypropyl)-3-[1-(1-naphthylmethyl)pyrazol-3-yl]thiourea 1-(3-methoxypropyl)-3-[1-(1-naph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.57 -2.18 -16.02 2 5 0 51 354.479 9 ↓

Analogs

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Popular Name: N-[1-(1-naphthylmethyl)pyrazol-3-yl]ethanesulfonamide N-[1-(1-naphthylmethyl)pyrazol-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.87 6.82 -15.07 1 5 0 64 315.398 5 ↓
Hi High (pH 8-9.5) 2.87 6.87 -49.5 0 5 -1 66 314.39 5 ↓

Analogs

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Popular Name: 2-[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]ethanamine 2-[3,5-dimethyl-1-(1-naphthylmet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.50 8.01 -50.73 3 3 1 45 280.395 4 ↓

Analogs

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Popular Name: 4-bromo-1-(1-naphthylmethyl)-3-nitro-pyrazole 4-bromo-1-(1-naphthylmethyl)-3-n…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.96 10.52 -13.84 0 5 0 64 332.157 3 ↓

Analogs

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Popular Name: 2-[(2-methoxy-1-naphthyl)methyl]pyrazol-3-amine 2-[(2-methoxy-1-naphthyl)methyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.76 6.9 -8.71 2 4 0 53 253.305 3 ↓
Mid Mid (pH 6-8) 2.76 6.45 -26.03 3 4 1 54 254.313 3 ↓

Analogs

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Popular Name: 2-[(2-methoxy-1-naphthyl)methyl]-4-methyl-pyrazol-3-amine 2-[(2-methoxy-1-naphthyl)methyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.13 7.61 -8.75 2 4 0 53 267.332 3 ↓
Mid Mid (pH 6-8) 3.13 7.17 -25.2 3 4 1 54 268.34 3 ↓

Parameters Provided:

ring.id = 116638
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 116638 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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