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

C18H14ClF3N2O — CID 40653572

IUPAC(S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol
SMILESCn1nc(-c2ccccc2)c([C@@H](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/t16-/m0/s1
InChIKeyJSFSSDXOQKVJHV-INIZCTEOSA-N
MW366.77 g/mol
LogP4.84
Rot. Bonds3

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

(S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol (PubChem CID 40653572) has the molecular formula C18H14ClF3N2O and a molecular weight of 366.77 g/mol. Its IUPAC name is (S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol
PubChem CID40653572
Molecular FormulaC18H14ClF3N2O
Molecular Weight366.77 g/mol
Exact Mass366.07
IUPAC Name(S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol
SMILESCn1nc(-c2ccccc2)c([C@@H](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/t16-/m0/s1
InChIKeyJSFSSDXOQKVJHV-INIZCTEOSA-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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Related Compounds

1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)propan-1-ol
CID 3756816
(5-chloro-1,3-dimethylpyrazol-4-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751736
1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)ethanone
CID 2763519
(3-chloro-5-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 115796099
1-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methylamino]propan-2-ol
CID 111421573
5-chloro-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 175213535
1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 103459409
5-chloro-N,1-dimethyl-3-phenylpyrazole-4-carboxamide
CID 3758412
(5-bromo-2-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 115796079
2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 107045890
1,3-dimethyl-5-[2-phenyl-6-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 174542850
4-chloro-1,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide
CID 77080184

Frequently Asked Questions

What is the IUPAC name of (S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol (CID 40653572) is (S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol is Cn1nc(-c2ccccc2)c([C@@H](O)c2ccccc2C(F)(F)F)c1Cl.
What is the InChIKey of (S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol?
The InChIKey is JSFSSDXOQKVJHV-INIZCTEOSA-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/t16-/m0/s1.
What are the key properties of (S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol?
(S)-(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 (S)-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 40653572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).