5-(4-cyano-3-fluorophenyl)-1-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid

C17H11FN4O2 — CID 171817765

IUPAC5-(4-cyano-3-fluorophenyl)-1-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid
SMILESCc1ccc(-n2nc(C(=O)O)cc2-c2ccc(C#N)c(F)c2)nc1
InChIInChI=1S/C17H11FN4O2/c1-10-2-5-16(20-9-10)22-15(7-14(21-22)17(23)24)11-3-4-12(8-19)13(18)6-11/h2-7,9H,1H3,(H,23,24)
InChIKeyGGBOPUWXLGCQAK-UHFFFAOYSA-N
MW322.30 g/mol
LogP2.95
Rot. Bonds3

About 5-(4-cyano-3-fluorophenyl)-1-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid

5-(4-cyano-3-fluorophenyl)-1-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid (PubChem CID 171817765) has the molecular formula C17H11FN4O2 and a molecular weight of 322.30 g/mol. Its IUPAC name is 5-(4-cyano-3-fluorophenyl)-1-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-cyano-3-fluorophenyl)-1-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid
PubChem CID171817765
Molecular FormulaC17H11FN4O2
Molecular Weight322.30 g/mol
Exact Mass322.09
IUPAC Name5-(4-cyano-3-fluorophenyl)-1-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid
SMILESCc1ccc(-n2nc(C(=O)O)cc2-c2ccc(C#N)c(F)c2)nc1
InChIInChI=1S/C17H11FN4O2/c1-10-2-5-16(20-9-10)22-15(7-14(21-22)17(23)24)11-3-4-12(8-19)13(18)6-11/h2-7,9H,1H3,(H,23,24)
InChIKeyGGBOPUWXLGCQAK-UHFFFAOYSA-N
XLogP2.95
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-p-tolyl-1H-pyrazol-1-yl)isonicotinic acid
CID 76901247
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CID 4775471
5-(2'',4''-Dichloro-biphenyl-4-yl)-1-pyridin-2-yl-1H-pyrazole-3-carboxylic acid
CID 10250987
3-butyl-1-pyridin-2-yl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-5-carboxylic acid
CID 14971711
(R)-4-(1-(5-cyano-6-methylpyridin-2-yl)-5-cyclopentyl-4,5-dihydro-1H-pyrazol-3-yl)benzoic acid
CID 58064741
2-(5-(3-hydroxy-4-methylphenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901248
2-(5-(2,4-difluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901615
2-(5-(3-fluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901616
2-(5-phenyl-1H-pyrazol-1-yl)isonicotinic acid
CID 86725498
2-(5-(3,4-difluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 90205111
2-(5-(4-fluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 90205512
6-phenyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2535053

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyano-3-fluorophenyl)-1-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-(4-cyano-3-fluorophenyl)-1-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid (CID 171817765) is 5-(4-cyano-3-fluorophenyl)-1-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-cyano-3-fluorophenyl)-1-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(4-cyano-3-fluorophenyl)-1-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid is Cc1ccc(-n2nc(C(=O)O)cc2-c2ccc(C#N)c(F)c2)nc1.
What is the InChIKey of 5-(4-cyano-3-fluorophenyl)-1-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid?
The InChIKey is GGBOPUWXLGCQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O2/c1-10-2-5-16(20-9-10)22-15(7-14(21-22)17(23)24)11-3-4-12(8-19)13(18)6-11/h2-7,9H,1H3,(H,23,24).
What are the key properties of 5-(4-cyano-3-fluorophenyl)-1-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid?
5-(4-cyano-3-fluorophenyl)-1-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid has a molecular weight of 322.30 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyano-3-fluorophenyl)-1-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 171817765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).