[5-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol

C12H10ClF3N2O2 — CID 58733798

IUPAC[5-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol
SMILESCc1nn(-c2ccc(OC(F)(F)F)cc2)c(Cl)c1CO
InChIInChI=1S/C12H10ClF3N2O2/c1-7-10(6-19)11(13)18(17-7)8-2-4-9(5-3-8)20-12(14,15)16/h2-5,19H,6H2,1H3
InChIKeyQNGXJSQEEZNZHL-UHFFFAOYSA-N
MW306.67 g/mol
LogP3.23
Rot. Bonds3

About [5-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol

[5-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol (PubChem CID 58733798) has the molecular formula C12H10ClF3N2O2 and a molecular weight of 306.67 g/mol. Its IUPAC name is [5-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol
PubChem CID58733798
Molecular FormulaC12H10ClF3N2O2
Molecular Weight306.67 g/mol
Exact Mass306.04
IUPAC Name[5-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol
SMILESCc1nn(-c2ccc(OC(F)(F)F)cc2)c(Cl)c1CO
InChIInChI=1S/C12H10ClF3N2O2/c1-7-10(6-19)11(13)18(17-7)8-2-4-9(5-3-8)20-12(14,15)16/h2-5,19H,6H2,1H3
InChIKeyQNGXJSQEEZNZHL-UHFFFAOYSA-N
XLogP3.23
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.67
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol (CID 58733798) is [5-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol is Cc1nn(-c2ccc(OC(F)(F)F)cc2)c(Cl)c1CO.
What is the InChIKey of [5-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol?
The InChIKey is QNGXJSQEEZNZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2O2/c1-7-10(6-19)11(13)18(17-7)8-2-4-9(5-3-8)20-12(14,15)16/h2-5,19H,6H2,1H3.
What are the key properties of [5-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol?
[5-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol has a molecular weight of 306.67 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 58733798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).