[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-(4-phenylphenyl)methanol

C18H15F3N2O — CID 102385476

IUPAC[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-(4-phenylphenyl)methanol
SMILESCn1ncc(C(F)(F)F)c1C(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H15F3N2O/c1-23-16(15(11-22-23)18(19,20)21)17(24)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11,17,24H,1H3
InChIKeyTXSVQJUQQWVEAH-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.19
Rot. Bonds3

About [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-(4-phenylphenyl)methanol

[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-(4-phenylphenyl)methanol (PubChem CID 102385476) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-(4-phenylphenyl)methanol.

Molecular Properties

Compound Name[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-(4-phenylphenyl)methanol
PubChem CID102385476
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC Name[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-(4-phenylphenyl)methanol
SMILESCn1ncc(C(F)(F)F)c1C(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H15F3N2O/c1-23-16(15(11-22-23)18(19,20)21)17(24)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11,17,24H,1H3
InChIKeyTXSVQJUQQWVEAH-UHFFFAOYSA-N
XLogP4.19
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-(4-phenylphenyl)methanol?
The IUPAC name of [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-(4-phenylphenyl)methanol (CID 102385476) is [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-(4-phenylphenyl)methanol.
What is the SMILES notation for [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-(4-phenylphenyl)methanol?
The canonical SMILES for [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-(4-phenylphenyl)methanol is Cn1ncc(C(F)(F)F)c1C(O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-(4-phenylphenyl)methanol?
The InChIKey is TXSVQJUQQWVEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O/c1-23-16(15(11-22-23)18(19,20)21)17(24)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11,17,24H,1H3.
What are the key properties of [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-(4-phenylphenyl)methanol?
[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-(4-phenylphenyl)methanol has a molecular weight of 332.33 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-(4-phenylphenyl)methanol is sourced from PubChem (CID 102385476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).