4-cyano-N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,6-difluorobenzamide

C19H14F2N4O — CID 99627929

IUPAC4-cyano-N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,6-difluorobenzamide
SMILESCc1cc(C)cc(-c2cc(NC(=O)c3c(F)cc(C#N)cc3F)n[nH]2)c1
InChIInChI=1S/C19H14F2N4O/c1-10-3-11(2)5-13(4-10)16-8-17(25-24-16)23-19(26)18-14(20)6-12(9-22)7-15(18)21/h3-8H,1-2H3,(H2,23,24,25,26)
InChIKeyYRBUZPCTLSWLTB-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.10
Rot. Bonds3

About 4-cyano-N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,6-difluorobenzamide

4-cyano-N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,6-difluorobenzamide (PubChem CID 99627929) has the molecular formula C19H14F2N4O and a molecular weight of 352.34 g/mol. Its IUPAC name is 4-cyano-N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound Name4-cyano-N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,6-difluorobenzamide
PubChem CID99627929
Molecular FormulaC19H14F2N4O
Molecular Weight352.34 g/mol
Exact Mass352.11
IUPAC Name4-cyano-N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,6-difluorobenzamide
SMILESCc1cc(C)cc(-c2cc(NC(=O)c3c(F)cc(C#N)cc3F)n[nH]2)c1
InChIInChI=1S/C19H14F2N4O/c1-10-3-11(2)5-13(4-10)16-8-17(25-24-16)23-19(26)18-14(20)6-12(9-22)7-15(18)21/h3-8H,1-2H3,(H2,23,24,25,26)
InChIKeyYRBUZPCTLSWLTB-UHFFFAOYSA-N
XLogP4.10
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-2,6-difluoro-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 75393131
N-(5-cyano-3-fluoro-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61259196
N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-4-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 75379837
N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-cyano-2,6-difluorobenzamide
CID 139012815
3-cyano-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
CID 95753100
2,4-dichloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide
CID 5348678
2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115778074
2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115647444
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-methyl-1H-pyrazole-3-carboxamide;formic acid
CID 163341612
4-bromo-2,6-difluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115686752
N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide
CID 167971745
2-amino-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]pyridine-4-carboxamide
CID 166321531

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,6-difluorobenzamide?
The IUPAC name of 4-cyano-N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,6-difluorobenzamide (CID 99627929) is 4-cyano-N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,6-difluorobenzamide.
What is the SMILES notation for 4-cyano-N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,6-difluorobenzamide?
The canonical SMILES for 4-cyano-N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,6-difluorobenzamide is Cc1cc(C)cc(-c2cc(NC(=O)c3c(F)cc(C#N)cc3F)n[nH]2)c1.
What is the InChIKey of 4-cyano-N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,6-difluorobenzamide?
The InChIKey is YRBUZPCTLSWLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O/c1-10-3-11(2)5-13(4-10)16-8-17(25-24-16)23-19(26)18-14(20)6-12(9-22)7-15(18)21/h3-8H,1-2H3,(H2,23,24,25,26).
What are the key properties of 4-cyano-N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,6-difluorobenzamide?
4-cyano-N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,6-difluorobenzamide has a molecular weight of 352.34 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 99627929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).