4-Amino-3-isopropyl-1H-pyrazole-5-carboxamide - CAS 521300-03-8
Catalog: |
BB027721 |
Product Name: |
4-Amino-3-isopropyl-1H-pyrazole-5-carboxamide |
CAS: |
521300-03-8 |
Synonyms: |
4-amino-5-propan-2-yl-1H-pyrazole-3-carboxamide; 4-amino-5-propan-2-yl-1H-pyrazole-3-carboxamide |
IUPAC Name: | 4-amino-5-propan-2-yl-1H-pyrazole-3-carboxamide |
Description: | 4-Amino-3-isopropyl-1H-pyrazole-5-carboxamide (CAS# 521300-03-8) is a useful research chemical. |
Molecular Weight: | 168.20 |
Molecular Formula: | C7H12N4O |
Canonical SMILES: | CC(C)C1=C(C(=NN1)C(=O)N)N |
InChI: | InChI=1S/C7H12N4O/c1-3(2)5-4(8)6(7(9)12)11-10-5/h3H,8H2,1-2H3,(H2,9,12)(H,10,11) |
InChI Key: | NTTYFNYUOSGCLO-UHFFFAOYSA-N |
LogP: | 1.49570 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-3059939-A1 | Indole ahr inhibitors and uses thereof | 20170421 |
CN-110831600-A | Indole AHR inhibitors and uses thereof | 20170421 |
EP-3612030-A2 | Indole ahr inhibitors and uses thereof | 20170421 |
JP-2020517734-A | Indole AHR inhibitors and uses thereof | 20170421 |
KR-20190141722-A | Indole AHR Inhibitors and Uses thereof | 20170421 |
Complexity: | 182 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.10111102 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.10111102 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 97.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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