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Analogs

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Popular Name: N3-(cyclobutylmethyl)-N3,2,5-trimethyl-pyrazole-3,4-diamine N3-(cyclobutylmethyl)-N3,2,5-tri…

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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) 1.29 5.37 -24.08 3 4 1 48 209.317 3 ↓
Hi High (pH 8-9.5) 1.29 5.25 -5 2 4 0 47 208.309 3 ↓

Analogs

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Popular Name: 5-[cyclobutylmethyl(methyl)amino]-1,3-dimethyl-pyrazole-4-carbaldehyde 5-[cyclobutylmethyl(methyl)amino…

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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) 1.60 7 -8.01 0 4 0 38 221.304 4 ↓

Analogs

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Popular Name: 5-[cyclobutylmethyl(methyl)amino]-1,3-dimethyl-pyrazole-4-carboxylic 5-[cyclobutylmethyl(methyl)amino…

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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) 1.38 8.13 -38.84 1 5 0 62 237.303 4 ↓
Hi High (pH 8-9.5) 1.38 8 -51.17 0 5 -1 61 236.295 4 ↓

Analogs

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Popular Name: [5-[cyclobutylmethyl(methyl)amino]-1,3-dimethyl-pyrazol-4-yl]methanol [5-[cyclobutylmethyl(methyl)amin…

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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) 1.14 4.51 -25.5 2 4 1 43 224.328 4 ↓
Hi High (pH 8-9.5) 1.14 4.38 -7.16 1 4 0 41 223.32 4 ↓

Analogs

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Popular Name: 4-(chloromethyl)-N-(cyclobutylmethyl)-N,2,5-trimethyl-pyrazol-3-amine 4-(chloromethyl)-N-(cyclobutylme…

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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) 2.38 8.41 -26.49 1 3 1 22 242.774 4 ↓
Mid Mid (pH 6-8) 2.38 8.28 -4.9 0 3 0 21 241.766 4 ↓

Analogs

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Popular Name: 4-(aminomethyl)-N-(cyclobutylmethyl)-N,2,5-trimethyl-pyrazol-3-amine 4-(aminomethyl)-N-(cyclobutylmet…

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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) 0.99 5.08 -45.02 3 4 1 49 223.344 4 ↓
Hi High (pH 8-9.5) 0.99 4.68 -5.19 2 4 0 47 222.336 4 ↓
Hi High (pH 8-9.5) 0.99 4.81 -23.9 3 4 1 48 223.344 4 ↓

Analogs

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Popular Name: N-(cyclobutylmethyl)-N,2,5-trimethyl-4-(methylaminomethyl)pyrazol-3-amine N-(cyclobutylmethyl)-N,2,5-trime…

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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) 1.36 6.95 -39.65 2 4 1 38 237.371 5 ↓
Hi High (pH 8-9.5) 1.36 5.48 -4.61 1 4 0 33 236.363 5 ↓
Mid Mid (pH 6-8) 1.36 7.08 -92.92 3 4 2 39 238.379 5 ↓

Analogs

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Popular Name: N-(cyclobutylmethyl)-4-(ethylaminomethyl)-N,2,5-trimethyl-pyrazol-3-amine N-(cyclobutylmethyl)-4-(ethylami…

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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) 1.74 7.75 -37.9 2 4 1 38 251.398 6 ↓
Hi High (pH 8-9.5) 1.74 6.35 -4.18 1 4 0 33 250.39 6 ↓
Mid Mid (pH 6-8) 1.74 7.88 -92.12 3 4 2 39 252.406 6 ↓

Analogs

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Popular Name: N-(cyclobutylmethyl)-N,2,5-trimethyl-4-(propylaminomethyl)pyrazol-3-amine N-(cyclobutylmethyl)-N,2,5-trime…

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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) 2.24 8.5 -38.61 2 4 1 38 265.425 7 ↓
Hi High (pH 8-9.5) 2.24 7.12 -4.1 1 4 0 33 264.417 7 ↓
Mid Mid (pH 6-8) 2.24 8.63 -93.96 3 4 2 39 266.433 7 ↓

Analogs

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Popular Name: N-(cyclobutylmethyl)-4-[(isopropylamino)methyl]-N,2,5-trimethyl-pyrazol-3-amine N-(cyclobutylmethyl)-4-[(isoprop…

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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) 2.04 8.32 -36.69 2 4 1 38 265.425 6 ↓
Hi High (pH 8-9.5) 2.04 7.1 -4.15 1 4 0 33 264.417 6 ↓
Mid Mid (pH 6-8) 2.04 8.46 -91.35 3 4 2 39 266.433 6 ↓

Analogs

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Popular Name: (E)-3-[5-[cyclobutylmethyl(methyl)amino]-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic (E)-3-[5-[cyclobutylmethyl(methy…

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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) 1.60 7.52 -60.88 1 5 0 62 263.341 5 ↓
Hi High (pH 8-9.5) 1.60 7.4 -56.5 0 5 -1 61 262.333 5 ↓

Parameters Provided:

ring.id = 217334
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 = 217334 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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