4-Amino-1-benzylpyrazole - CAS 28466-62-8
Catalog: |
BB019862 |
Product Name: |
4-Amino-1-benzylpyrazole |
CAS: |
28466-62-8 |
Synonyms: |
1-(phenylmethyl)-4-pyrazolamine; 1-benzylpyrazol-4-amine |
IUPAC Name: | 1-benzylpyrazol-4-amine |
Description: | 4-Amino-1-benzylpyrazole (CAS# 28466-62-8) is a useful research chemical. |
Molecular Weight: | 173.21 |
Molecular Formula: | C10H11N3 |
Canonical SMILES: | C1=CC=C(C=C1)CN2C=C(C=N2)N |
InChI: | InChI=1S/C10H11N3/c11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7,11H2 |
InChI Key: | HKIIDGKOOZXNQC-UHFFFAOYSA-N |
Boiling Point: | 369.4 °C at 760 mmHg |
Density: | 1.16 g/cm3 |
MDL: | MFCD01693690 |
LogP: | 2.09480 |
GHS Hazard Statement: | H302 (50%): 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 |
WO-2021029450-A1 | Novel pyrimidine sulfonamide derivative, and pharmaceutical composition for preventing or treating cancer comprising same as active ingredient | 20190809 |
KR-102278691-B1 | Novel pyrimidine sulfonamide derivatives | 20190809 |
KR-102282712-B1 | A pharmaceutical composition comprising novel pyrimidine sulfonamide derivatives for preventing or treating cancer | 20190809 |
KR-20210017856-A | Novel pyrimidine sulfonamide derivatives | 20190809 |
KR-20210017860-A | A pharmaceutical composition comprising novel pyrimidine sulfonamide derivatives for preventing or treating cancer | 20190809 |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.095297364 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.095297364 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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Amines and Anilines
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