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

C18H14ClF3N2O — CID 3740021

IUPAC(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol
SMILESCn1nc(-c2ccccc2)c(C(O)c2ccccc2C(F)(F)F)c1Cl
InChIInChI=1S/C18H14ClF3N2O/c1-24-17(19)14(15(23-24)11-7-3-2-4-8-11)16(25)12-9-5-6-10-13(12)18(20,21)22/h2-10,16,25H,1H3
InChIKeyJSFSSDXOQKVJHV-UHFFFAOYSA-N
MW366.77 g/mol
LogP4.84
Rot. Bonds3

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

(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol (PubChem CID 3740021) has the molecular formula C18H14ClF3N2O and a molecular weight of 366.77 g/mol. Its IUPAC name is (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol
PubChem CID3740021
Molecular FormulaC18H14ClF3N2O
Molecular Weight366.77 g/mol
Exact Mass366.07
IUPAC Name(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol
SMILESCn1nc(-c2ccccc2)c(C(O)c2ccccc2C(F)(F)F)c1Cl
InChIInChI=1S/C18H14ClF3N2O/c1-24-17(19)14(15(23-24)11-7-3-2-4-8-11)16(25)12-9-5-6-10-13(12)18(20,21)22/h2-10,16,25H,1H3
InChIKeyJSFSSDXOQKVJHV-UHFFFAOYSA-N
XLogP4.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.77
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol (CID 3740021) is (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol is Cn1nc(-c2ccccc2)c(C(O)c2ccccc2C(F)(F)F)c1Cl.
What is the InChIKey of (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol?
The InChIKey is JSFSSDXOQKVJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N2O/c1-24-17(19)14(15(23-24)11-7-3-2-4-8-11)16(25)12-9-5-6-10-13(12)18(20,21)22/h2-10,16,25H,1H3.
What are the key properties of (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol?
(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol has a molecular weight of 366.77 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 3740021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).