(2,6-difluorophenyl)-(4-hydroxy-3-methyl-1-phenylpyrazol-5-yl)methanone

C17H12F2N2O2 — CID 136722892

IUPAC(2,6-difluorophenyl)-(4-hydroxy-3-methyl-1-phenylpyrazol-5-yl)methanone
SMILESCc1nn(-c2ccccc2)c(C(=O)c2c(F)cccc2F)c1O
InChIInChI=1S/C17H12F2N2O2/c1-10-16(22)15(21(20-10)11-6-3-2-4-7-11)17(23)14-12(18)8-5-9-13(14)19/h2-9,22H,1H3
InChIKeyQNXHTOCWUHKYJQ-UHFFFAOYSA-N
MW314.29 g/mol
LogP3.40
Rot. Bonds3

About (2,6-difluorophenyl)-(4-hydroxy-3-methyl-1-phenylpyrazol-5-yl)methanone

(2,6-difluorophenyl)-(4-hydroxy-3-methyl-1-phenylpyrazol-5-yl)methanone (PubChem CID 136722892) has the molecular formula C17H12F2N2O2 and a molecular weight of 314.29 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(4-hydroxy-3-methyl-1-phenylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(4-hydroxy-3-methyl-1-phenylpyrazol-5-yl)methanone
PubChem CID136722892
Molecular FormulaC17H12F2N2O2
Molecular Weight314.29 g/mol
Exact Mass314.09
IUPAC Name(2,6-difluorophenyl)-(4-hydroxy-3-methyl-1-phenylpyrazol-5-yl)methanone
SMILESCc1nn(-c2ccccc2)c(C(=O)c2c(F)cccc2F)c1O
InChIInChI=1S/C17H12F2N2O2/c1-10-16(22)15(21(20-10)11-6-3-2-4-7-11)17(23)14-12(18)8-5-9-13(14)19/h2-9,22H,1H3
InChIKeyQNXHTOCWUHKYJQ-UHFFFAOYSA-N
XLogP3.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 121222038
[3,5-bis(5-hydroxy-3-methyl-1-phenylpyrazole-4-carbonyl)phenyl]-(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)methanone
CID 136797774
4-amino-3-methyl-1-phenylpyrazole-5-carboxylic acid
CID 82393477
(2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 113222399
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide
CID 9403845
(E)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 52753947
N-[(2-chloro-6-fluorophenyl)methyl]-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide
CID 31361212
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide
CID 51275491
methyl 4,5-dimethyl-2-phenylpyrazole-3-carboxylate
CID 56693895
dimethyl 3-[2-(difluoromethyl)-6-fluorophenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169389734
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid
CID 783981
N-[(2-chloro-6-fluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxoacetamide
CID 18112205

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(4-hydroxy-3-methyl-1-phenylpyrazol-5-yl)methanone?
The IUPAC name of (2,6-difluorophenyl)-(4-hydroxy-3-methyl-1-phenylpyrazol-5-yl)methanone (CID 136722892) is (2,6-difluorophenyl)-(4-hydroxy-3-methyl-1-phenylpyrazol-5-yl)methanone.
What is the SMILES notation for (2,6-difluorophenyl)-(4-hydroxy-3-methyl-1-phenylpyrazol-5-yl)methanone?
The canonical SMILES for (2,6-difluorophenyl)-(4-hydroxy-3-methyl-1-phenylpyrazol-5-yl)methanone is Cc1nn(-c2ccccc2)c(C(=O)c2c(F)cccc2F)c1O.
What is the InChIKey of (2,6-difluorophenyl)-(4-hydroxy-3-methyl-1-phenylpyrazol-5-yl)methanone?
The InChIKey is QNXHTOCWUHKYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2/c1-10-16(22)15(21(20-10)11-6-3-2-4-7-11)17(23)14-12(18)8-5-9-13(14)19/h2-9,22H,1H3.
What are the key properties of (2,6-difluorophenyl)-(4-hydroxy-3-methyl-1-phenylpyrazol-5-yl)methanone?
(2,6-difluorophenyl)-(4-hydroxy-3-methyl-1-phenylpyrazol-5-yl)methanone has a molecular weight of 314.29 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(4-hydroxy-3-methyl-1-phenylpyrazol-5-yl)methanone is sourced from PubChem (CID 136722892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).