3-Amino-4-(4-fluorophenyl)-5-methyl-1H-pyrazole - CAS 62538-16-3
Catalog: |
BB031644 |
Product Name: |
3-Amino-4-(4-fluorophenyl)-5-methyl-1H-pyrazole |
CAS: |
62538-16-3 |
Synonyms: |
4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-amine; 4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-amine |
IUPAC Name: | 4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-amine |
Description: | 3-Amino-4-(4-fluorophenyl)-5-methyl-1H-pyrazole (CAS# 62538-16-3 ) is a useful research chemical. |
Molecular Weight: | 191.20 |
Molecular Formula: | C10H10FN3 |
Canonical SMILES: | CC1=C(C(=NN1)N)C2=CC=C(C=C2)F |
InChI: | InChI=1S/C10H10FN3/c1-6-9(10(12)14-13-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H3,12,13,14) |
InChI Key: | LRMAIRSHUYHWRN-UHFFFAOYSA-N |
LogP: | 2.68760 |
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 |
US-2019119285-A1 | Pyrazolopyrimidinone compounds and uses thereof | 20170915 |
US-10738056-B2 | Pyrazolopyrimidinone compounds and uses thereof | 20170915 |
US-2012277224-A1 | Heterocyclic compounds for the inhibition of pask | 20110426 |
WO-2012149157-A2 | Heterocyclic compounds for the inhibition of pask | 20110426 |
US-10953012-B2 | Heterocyclic compounds for the inhibition of pask | 20110426 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.08587549 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.08587549 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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