(5-chloro-1,3-dimethylpyrazol-4-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol

C14H14ClF3N2O — CID 102751736

IUPAC(5-chloro-1,3-dimethylpyrazol-4-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
SMILESCc1cc(C(F)(F)F)ccc1C(O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C14H14ClF3N2O/c1-7-6-9(14(16,17)18)4-5-10(7)12(21)11-8(2)19-20(3)13(11)15/h4-6,12,21H,1-3H3
InChIKeyBFNFZGBXMOWLSJ-UHFFFAOYSA-N
MW318.73 g/mol
LogP3.79
Rot. Bonds2

About (5-chloro-1,3-dimethylpyrazol-4-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol

(5-chloro-1,3-dimethylpyrazol-4-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol (PubChem CID 102751736) has the molecular formula C14H14ClF3N2O and a molecular weight of 318.73 g/mol. Its IUPAC name is (5-chloro-1,3-dimethylpyrazol-4-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(5-chloro-1,3-dimethylpyrazol-4-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
PubChem CID102751736
Molecular FormulaC14H14ClF3N2O
Molecular Weight318.73 g/mol
Exact Mass318.07
IUPAC Name(5-chloro-1,3-dimethylpyrazol-4-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
SMILESCc1cc(C(F)(F)F)ccc1C(O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C14H14ClF3N2O/c1-7-6-9(14(16,17)18)4-5-10(7)12(21)11-8(2)19-20(3)13(11)15/h4-6,12,21H,1-3H3
InChIKeyBFNFZGBXMOWLSJ-UHFFFAOYSA-N
XLogP3.79
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.73
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-chloro-1,3-dimethylpyrazol-4-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

[2-methyl-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethanol
CID 102751290
(3-chloro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 107103538
[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethanol
CID 102751287
(R)-(5-chloro-1,3-dimethylpyrazol-4-yl)-(2-chloro-3-methoxyphenyl)methanol
CID 95559607
(2,3-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751424
(4-fluoro-3-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751473
1-(1-chloropropyl)-2-methyl-4-(trifluoromethyl)benzene
CID 130480328
(6-methoxypyridazin-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 103373443
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102804693
(2,5-dibromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102759051
(S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 40653572
(3-bromo-4-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751415

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3-dimethylpyrazol-4-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (5-chloro-1,3-dimethylpyrazol-4-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol (CID 102751736) is (5-chloro-1,3-dimethylpyrazol-4-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (5-chloro-1,3-dimethylpyrazol-4-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (5-chloro-1,3-dimethylpyrazol-4-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol is Cc1cc(C(F)(F)F)ccc1C(O)c1c(C)nn(C)c1Cl.
What is the InChIKey of (5-chloro-1,3-dimethylpyrazol-4-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is BFNFZGBXMOWLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2O/c1-7-6-9(14(16,17)18)4-5-10(7)12(21)11-8(2)19-20(3)13(11)15/h4-6,12,21H,1-3H3.
What are the key properties of (5-chloro-1,3-dimethylpyrazol-4-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
(5-chloro-1,3-dimethylpyrazol-4-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol has a molecular weight of 318.73 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,3-dimethylpyrazol-4-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 102751736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).