[3,5-bis(difluoromethyl)-3-hydroxy-1H-pyrazol-2-yl]-(3-chlorophenyl)methanone

C12H9ClF4N2O2 — CID 5018174

IUPAC[3,5-bis(difluoromethyl)-3-hydroxy-1H-pyrazol-2-yl]-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)N1NC(C(F)F)=CC1(O)C(F)F
InChIInChI=1S/C12H9ClF4N2O2/c13-7-3-1-2-6(4-7)10(20)19-12(21,11(16)17)5-8(18-19)9(14)15/h1-5,9,11,18,21H
InChIKeyLVIPGLMXNYPLSA-UHFFFAOYSA-N
MW324.66 g/mol
LogP2.40
Rot. Bonds3

About [3,5-bis(difluoromethyl)-3-hydroxy-1H-pyrazol-2-yl]-(3-chlorophenyl)methanone

[3,5-bis(difluoromethyl)-3-hydroxy-1H-pyrazol-2-yl]-(3-chlorophenyl)methanone (PubChem CID 5018174) has the molecular formula C12H9ClF4N2O2 and a molecular weight of 324.66 g/mol. Its IUPAC name is [3,5-bis(difluoromethyl)-3-hydroxy-1H-pyrazol-2-yl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[3,5-bis(difluoromethyl)-3-hydroxy-1H-pyrazol-2-yl]-(3-chlorophenyl)methanone
PubChem CID5018174
Molecular FormulaC12H9ClF4N2O2
Molecular Weight324.66 g/mol
Exact Mass324.03
IUPAC Name[3,5-bis(difluoromethyl)-3-hydroxy-1H-pyrazol-2-yl]-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)N1NC(C(F)F)=CC1(O)C(F)F
InChIInChI=1S/C12H9ClF4N2O2/c13-7-3-1-2-6(4-7)10(20)19-12(21,11(16)17)5-8(18-19)9(14)15/h1-5,9,11,18,21H
InChIKeyLVIPGLMXNYPLSA-UHFFFAOYSA-N
XLogP2.40
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.66
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N'-[2-(trifluoroacetyl)-1-cyclopenten-1-yl]benzohydrazide
CID 2869286
4-chloro-N'-[2-(trifluoroacetyl)cyclopent-1-en-1-yl]benzohydrazide
CID 3147001
4-chloro-N-[2,2,2-trifluoro-1-(5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)-1-(trifluoromethyl)ethyl]benzamide
CID 171981833
[(3S)-5-butyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(3-chlorophenyl)methanone
CID 1726857
[(3R)-5-butyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(3-chlorophenyl)methanone
CID 1726858
(4-chlorophenyl)-[(3S)-3-hydroxy-5-phenyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
CID 1897403
(4-chlorophenyl)-[(3R)-3-hydroxy-5-phenyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
CID 1897404
[(3S)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-phenylmethanone
CID 1900357
[(3R)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-phenylmethanone
CID 1900358
4-chloro-N'-[(5R)-5-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]benzohydrazide
CID 1912362
(3-chlorophenyl)-[(3S)-5-(4-fluorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
CID 1914583
(3-chlorophenyl)-[(3R)-5-(4-fluorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
CID 1914584

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(difluoromethyl)-3-hydroxy-1H-pyrazol-2-yl]-(3-chlorophenyl)methanone?
The IUPAC name of [3,5-bis(difluoromethyl)-3-hydroxy-1H-pyrazol-2-yl]-(3-chlorophenyl)methanone (CID 5018174) is [3,5-bis(difluoromethyl)-3-hydroxy-1H-pyrazol-2-yl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [3,5-bis(difluoromethyl)-3-hydroxy-1H-pyrazol-2-yl]-(3-chlorophenyl)methanone?
The canonical SMILES for [3,5-bis(difluoromethyl)-3-hydroxy-1H-pyrazol-2-yl]-(3-chlorophenyl)methanone is O=C(c1cccc(Cl)c1)N1NC(C(F)F)=CC1(O)C(F)F.
What is the InChIKey of [3,5-bis(difluoromethyl)-3-hydroxy-1H-pyrazol-2-yl]-(3-chlorophenyl)methanone?
The InChIKey is LVIPGLMXNYPLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF4N2O2/c13-7-3-1-2-6(4-7)10(20)19-12(21,11(16)17)5-8(18-19)9(14)15/h1-5,9,11,18,21H.
What are the key properties of [3,5-bis(difluoromethyl)-3-hydroxy-1H-pyrazol-2-yl]-(3-chlorophenyl)methanone?
[3,5-bis(difluoromethyl)-3-hydroxy-1H-pyrazol-2-yl]-(3-chlorophenyl)methanone has a molecular weight of 324.66 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(difluoromethyl)-3-hydroxy-1H-pyrazol-2-yl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 5018174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).