4-(3-Pyrazolyl)benzonitrile - CAS 474706-35-9
Catalog: |
BB026297 |
Product Name: |
4-(3-Pyrazolyl)benzonitrile |
CAS: |
474706-35-9 |
Synonyms: |
4-(1H-pyrazol-5-yl)benzonitrile; 4-(1H-pyrazol-5-yl)benzonitrile |
IUPAC Name: | 4-(1H-pyrazol-5-yl)benzonitrile |
Description: | 4-(3-Pyrazolyl)benzonitrile (CAS# 474706-35-9) is a useful research chemical. |
Molecular Weight: | 169.18 |
Molecular Formula: | C10H7N3 |
Canonical SMILES: | C1=CC(=CC=C1C#N)C2=CC=NN2 |
InChI: | InChI=1S/C10H7N3/c11-7-8-1-3-9(4-2-8)10-5-6-12-13-10/h1-6H,(H,12,13) |
InChI Key: | KBVIWLGAVURNLR-UHFFFAOYSA-N |
MDL: | MFCD01569438 |
LogP: | 1.94838 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110483400-A | A kind of preparation method of pyrazole derivatives | 20190814 |
KR-20190064847-A | Arylpyrazolylpiperazine or diazepane derivatives acting as 5-HT7 receptor ligands and pharmaceutical composition for treating or preventing central nervous system diseases | 20171201 |
KR-20190065402-A | Substituted 6- (1H-pyrazol-1-yl) pyrimidin-4-amine derivatives and uses thereof | 20161014 |
CN-108884068-A | 1- cyano-pyrolidin derivative as DUB inhibitor | 20160324 |
CA-2980965-A1 | Process for the preparation of androgen receptor antagonists and intermediates thereof | 20150409 |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.063997236 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.063997236 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 52.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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