| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 8 | Yes |
Popular Name: 1h-pyrazole-1-carboximidamide hydrochloride 1h-pyrazole-1-carboximidamide hy…
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CAS Numbers: 03/02/23 , 2/3/4023 12:00:00 AM , 4023-00-1 , 4023-02--3 , 4023-02-3 , [4023-02-3]
"1H-Pyrazole-1-carboxamidine hydrochloride, 99%"
1-Amidinopyrazole hydrochloride
1H-Pyrazole-1-Carbamidine HCl [4023-02-3]
1H-PYRAZOLE-1-CARBOXAMIDINE HCI; [4023-02-3]
1H-Pyrazole-1-carboxamidine HCl
1H-Pyrazole-1-carboxamidine hydrochloride
1H-Pyrazole-1-carboxamidine hydrochloride, 99%
1H-Pyrazole-1-carboxamidine monohydrochloride, 99%
1H-Pyrazole-1-carboxamidine, HCl
1H-Pyrazole-1-carboxamidinehydrochloride
| 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) | -0.54 | 2.36 | -31.88 | 4 | 4 | 1 | 69 | 111.128 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.54 | 2.37 | -5.62 | 3 | 4 | 0 | 68 | 110.12 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 162-166o C | Indofine |
| MP | 165-166° | Matrix Scientific |
| MP | 167 | TCI |
| Mp [°C] | 167 - 170 | Acros Organics |
| MP | 167-170 °C(lit.) | Indofine |
| Melting_Point | 167-170? | Alfa-Aesar |
| MP | 167-170° | Matrix Scientific |
| MP | 167...170 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| H phrase | H373: May cause damage to organs through prolonged or repeated exposure | Acros Organics |
| H phrase | H373: May cause damage to organs through prolonged or repeated exposure; H317: May cause an allergic skin reaction; H412: Harmful to aquatic life with long lasting effects; H302: Harmful if swallowed; H318: Causes serious eye damage | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing | Acros Organics |
| P phrase | P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P310: Immediately call a POISON CENTER or doctor/physician; P280: Wear eye protection/face protection; P26 | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS1-6-E | Nitric-oxide Synthase, Brain (cluster #6 Of 7), Eukaryotic | Eukaryotes | 400 | 1.12 | Binding ≤ 10μM |
| NOS2-8-E | Nitric Oxide Synthase, Inducible (cluster #8 Of 9), Eukaryotic | Eukaryotes | 700 | 1.08 | Binding ≤ 10μM |
| NOS3-6-E | Nitric Oxide Synthase, Endothelial (cluster #6 Of 7), Eukaryotic | Eukaryotes | 500 | 1.10 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS2_MOUSE | P29477 | Nitric Oxide Synthase, Inducible, Mouse | 700 | 1.08 | Binding ≤ 1μM |
| NOS1_RAT | P29476 | Nitric-oxide Synthase, Brain, Rat | 400 | 1.12 | Binding ≤ 1μM |
| NOS1_HUMAN | P29475 | Nitric-oxide Synthase, Brain, Human | 400 | 1.12 | Binding ≤ 1μM |
| NOS3_BOVIN | P29473 | Nitric-oxide Synthase, Endothelial, Bovin | 500 | 1.10 | Binding ≤ 1μM |
| NOS2_MOUSE | P29477 | Nitric Oxide Synthase, Inducible, Mouse | 700 | 1.08 | Binding ≤ 10μM |
| NOS1_RAT | P29476 | Nitric-oxide Synthase, Brain, Rat | 400 | 1.12 | Binding ≤ 10μM |
| NOS1_HUMAN | P29475 | Nitric-oxide Synthase, Brain, Human | 400 | 1.12 | Binding ≤ 10μM |
| NOS3_BOVIN | P29473 | Nitric-oxide Synthase, Endothelial, Bovin | 500 | 1.10 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Nitric oxide stimulates guanylate cyclase | |
| Phagosomal maturation (early endosomal stage) |
No pre-computed analogs available. Try a structural similarity search.