[1-benzyl-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol

C12H10ClF3N2O — CID 43333641

IUPAC[1-benzyl-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESOCc1c(C(F)(F)F)nn(Cc2ccccc2)c1Cl
InChIInChI=1S/C12H10ClF3N2O/c13-11-9(7-19)10(12(14,15)16)17-18(11)6-8-4-2-1-3-5-8/h1-5,19H,6-7H2
InChIKeyLGYRFCZQYSJNDB-UHFFFAOYSA-N
MW290.67 g/mol
LogP3.10
Rot. Bonds3

About [1-benzyl-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol

[1-benzyl-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol (PubChem CID 43333641) has the molecular formula C12H10ClF3N2O and a molecular weight of 290.67 g/mol. Its IUPAC name is [1-benzyl-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol
PubChem CID43333641
Molecular FormulaC12H10ClF3N2O
Molecular Weight290.67 g/mol
Exact Mass290.04
IUPAC Name[1-benzyl-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESOCc1c(C(F)(F)F)nn(Cc2ccccc2)c1Cl
InChIInChI=1S/C12H10ClF3N2O/c13-11-9(7-19)10(12(14,15)16)17-18(11)6-8-4-2-1-3-5-8/h1-5,19H,6-7H2
InChIKeyLGYRFCZQYSJNDB-UHFFFAOYSA-N
XLogP3.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.67
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzyl-5-chloro-3-propylpyrazol-4-yl)methanol
CID 43333639
[1-[(3-bromophenyl)methyl]-3-tert-butyl-5-chloropyrazol-4-yl]methanol
CID 63276258
[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]methanol
CID 164664654
[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 1476999
1-[(3-bromophenyl)methyl]-5-chloro-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 63276738
[1-benzyl-5-chloro-3-(oxan-4-yl)pyrazol-4-yl]methanol
CID 165493173
1-[(3-bromophenyl)methyl]-5-chloro-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 63788260
5-chloro-1-[(2-methylphenyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 63272194
[5-chloro-1-[(3-chlorophenyl)methyl]-3-ethylpyrazol-4-yl]methanol
CID 55172991
1-benzyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 118561357
[4-[(2-chlorophenyl)methyl]-2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-3-yl]methanol
CID 129047264
5-chloro-1-[(2-chlorophenyl)methyl]-4-methyl-3-(trifluoromethyl)pyrazole
CID 66016106

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-benzyl-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol (CID 43333641) is [1-benzyl-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-benzyl-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-benzyl-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol is OCc1c(C(F)(F)F)nn(Cc2ccccc2)c1Cl.
What is the InChIKey of [1-benzyl-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is LGYRFCZQYSJNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2O/c13-11-9(7-19)10(12(14,15)16)17-18(11)6-8-4-2-1-3-5-8/h1-5,19H,6-7H2.
What are the key properties of [1-benzyl-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol?
[1-benzyl-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 290.67 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 43333641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).