[4-bromo-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol

C12H10BrF3N2O — CID 69284507

IUPAC[4-bromo-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol
SMILESCn1nc(-c2ccc(C(F)(F)F)cc2)c(Br)c1CO
InChIInChI=1S/C12H10BrF3N2O/c1-18-9(6-19)10(13)11(17-18)7-2-4-8(5-3-7)12(14,15)16/h2-5,19H,6H2,1H3
InChIKeyXWXNVYGDTCQIKU-UHFFFAOYSA-N
MW335.12 g/mol
LogP3.36
Rot. Bonds2

About [4-bromo-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol

[4-bromo-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol (PubChem CID 69284507) has the molecular formula C12H10BrF3N2O and a molecular weight of 335.12 g/mol. Its IUPAC name is [4-bromo-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[4-bromo-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol
PubChem CID69284507
Molecular FormulaC12H10BrF3N2O
Molecular Weight335.12 g/mol
Exact Mass333.99
IUPAC Name[4-bromo-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol
SMILESCn1nc(-c2ccc(C(F)(F)F)cc2)c(Br)c1CO
InChIInChI=1S/C12H10BrF3N2O/c1-18-9(6-19)10(13)11(17-18)7-2-4-8(5-3-7)12(14,15)16/h2-5,19H,6H2,1H3
InChIKeyXWXNVYGDTCQIKU-UHFFFAOYSA-N
XLogP3.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.12
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol?
The IUPAC name of [4-bromo-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol (CID 69284507) is [4-bromo-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol.
What is the SMILES notation for [4-bromo-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol?
The canonical SMILES for [4-bromo-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol is Cn1nc(-c2ccc(C(F)(F)F)cc2)c(Br)c1CO.
What is the InChIKey of [4-bromo-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol?
The InChIKey is XWXNVYGDTCQIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N2O/c1-18-9(6-19)10(13)11(17-18)7-2-4-8(5-3-7)12(14,15)16/h2-5,19H,6H2,1H3.
What are the key properties of [4-bromo-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol?
[4-bromo-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol has a molecular weight of 335.12 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol is sourced from PubChem (CID 69284507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).