[5-chloro-3-(difluoromethyl)-1-(2,4-difluorophenyl)pyrazol-4-yl]methanol

C11H7ClF4N2O — CID 62891733

IUPAC[5-chloro-3-(difluoromethyl)-1-(2,4-difluorophenyl)pyrazol-4-yl]methanol
SMILESOCc1c(C(F)F)nn(-c2ccc(F)cc2F)c1Cl
InChIInChI=1S/C11H7ClF4N2O/c12-10-6(4-19)9(11(15)16)17-18(10)8-2-1-5(13)3-7(8)14/h1-3,11,19H,4H2
InChIKeyDECVPSLTRSYYFB-UHFFFAOYSA-N
MW294.64 g/mol
LogP3.23
Rot. Bonds3

About [5-chloro-3-(difluoromethyl)-1-(2,4-difluorophenyl)pyrazol-4-yl]methanol

[5-chloro-3-(difluoromethyl)-1-(2,4-difluorophenyl)pyrazol-4-yl]methanol (PubChem CID 62891733) has the molecular formula C11H7ClF4N2O and a molecular weight of 294.64 g/mol. Its IUPAC name is [5-chloro-3-(difluoromethyl)-1-(2,4-difluorophenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-3-(difluoromethyl)-1-(2,4-difluorophenyl)pyrazol-4-yl]methanol
PubChem CID62891733
Molecular FormulaC11H7ClF4N2O
Molecular Weight294.64 g/mol
Exact Mass294.02
IUPAC Name[5-chloro-3-(difluoromethyl)-1-(2,4-difluorophenyl)pyrazol-4-yl]methanol
SMILESOCc1c(C(F)F)nn(-c2ccc(F)cc2F)c1Cl
InChIInChI=1S/C11H7ClF4N2O/c12-10-6(4-19)9(11(15)16)17-18(10)8-2-1-5(13)3-7(8)14/h1-3,11,19H,4H2
InChIKeyDECVPSLTRSYYFB-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.64
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanol
CID 2526674
(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methanol
CID 940312
5-Chloro-4-(difluoromethyl)-3-methyl-1-phenylpyrazole
CID 121224671
(NE)-N-[[5-chloro-1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-4-yl]methylidene]hydroxylamine
CID 139231081
(4Z)-5-chloro-N-hydroxy-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboximidoyl chloride
CID 139231082
(4Z)-5-chloro-1-(4-fluorophenyl)-N-hydroxy-3-(trifluoromethyl)pyrazole-4-carboximidoyl chloride
CID 139231085
1-(5-Chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-yn-1-ol
CID 156903965
(5-fluoro-1-phenyl-3-trifluoromethyl-1H-pyrazol-4-yl)-methanol
CID 17862906
(5-chloro-1-phenyl-3-trifluoromethyl-1H-pyrazol-4-yl)-methanol
CID 17862912
[1-(2,6-dichloro-4-trifluoromethylphenyl)-3,5-diethyl-1H-pyrazol-4-yl]methanol
CID 21837337
(1-Phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
CID 25067326
4-Carboxy-5-chloro-1-phenyl-3-(trifluoromethyl)pyrazole
CID 39096097

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-(difluoromethyl)-1-(2,4-difluorophenyl)pyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-3-(difluoromethyl)-1-(2,4-difluorophenyl)pyrazol-4-yl]methanol (CID 62891733) is [5-chloro-3-(difluoromethyl)-1-(2,4-difluorophenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-3-(difluoromethyl)-1-(2,4-difluorophenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-3-(difluoromethyl)-1-(2,4-difluorophenyl)pyrazol-4-yl]methanol is OCc1c(C(F)F)nn(-c2ccc(F)cc2F)c1Cl.
What is the InChIKey of [5-chloro-3-(difluoromethyl)-1-(2,4-difluorophenyl)pyrazol-4-yl]methanol?
The InChIKey is DECVPSLTRSYYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF4N2O/c12-10-6(4-19)9(11(15)16)17-18(10)8-2-1-5(13)3-7(8)14/h1-3,11,19H,4H2.
What are the key properties of [5-chloro-3-(difluoromethyl)-1-(2,4-difluorophenyl)pyrazol-4-yl]methanol?
[5-chloro-3-(difluoromethyl)-1-(2,4-difluorophenyl)pyrazol-4-yl]methanol has a molecular weight of 294.64 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-(difluoromethyl)-1-(2,4-difluorophenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 62891733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).