[5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methanol

C12H12F3N3O — CID 10635802

IUPAC[5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methanol
SMILESCc1[nH]nc(Nc2ccc(C(F)(F)F)cc2)c1CO
InChIInChI=1S/C12H12F3N3O/c1-7-10(6-19)11(18-17-7)16-9-4-2-8(3-5-9)12(13,14)15/h2-5,19H,6H2,1H3,(H2,16,17,18)
InChIKeyZANQTJNSVDTXBE-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.97
Rot. Bonds3

About [5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methanol

[5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methanol (PubChem CID 10635802) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is [5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methanol
PubChem CID10635802
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name[5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methanol
SMILESCc1[nH]nc(Nc2ccc(C(F)(F)F)cc2)c1CO
InChIInChI=1S/C12H12F3N3O/c1-7-10(6-19)11(18-17-7)16-9-4-2-8(3-5-9)12(13,14)15/h2-5,19H,6H2,1H3,(H2,16,17,18)
InChIKeyZANQTJNSVDTXBE-UHFFFAOYSA-N
XLogP2.97
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methanol?
The IUPAC name of [5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methanol (CID 10635802) is [5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methanol.
What is the SMILES notation for [5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methanol?
The canonical SMILES for [5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methanol is Cc1[nH]nc(Nc2ccc(C(F)(F)F)cc2)c1CO.
What is the InChIKey of [5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methanol?
The InChIKey is ZANQTJNSVDTXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-7-10(6-19)11(18-17-7)16-9-4-2-8(3-5-9)12(13,14)15/h2-5,19H,6H2,1H3,(H2,16,17,18).
What are the key properties of [5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methanol?
[5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methanol has a molecular weight of 271.24 g/mol, XLogP of 2.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-[4-(trifluoromethyl)anilino]-1H-pyrazol-4-yl]methanol is sourced from PubChem (CID 10635802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).