3-cyano-N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]benzamide

C19H13N5O — CID 46107962

IUPAC3-cyano-N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2cccc(C#N)c2)nn1-c1ccc(C#N)cc1
InChIInChI=1S/C19H13N5O/c1-13-9-18(22-19(25)16-4-2-3-15(10-16)12-21)23-24(13)17-7-5-14(11-20)6-8-17/h2-10H,1H3,(H,22,23,25)
InChIKeyTZXVIHSDDDSAST-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.18
Rot. Bonds3

About 3-cyano-N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]benzamide

3-cyano-N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]benzamide (PubChem CID 46107962) has the molecular formula C19H13N5O and a molecular weight of 327.35 g/mol. Its IUPAC name is 3-cyano-N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]benzamide
PubChem CID46107962
Molecular FormulaC19H13N5O
Molecular Weight327.35 g/mol
Exact Mass327.11
IUPAC Name3-cyano-N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2cccc(C#N)c2)nn1-c1ccc(C#N)cc1
InChIInChI=1S/C19H13N5O/c1-13-9-18(22-19(25)16-4-2-3-15(10-16)12-21)23-24(13)17-7-5-14(11-20)6-8-17/h2-10H,1H3,(H,22,23,25)
InChIKeyTZXVIHSDDDSAST-UHFFFAOYSA-N
XLogP3.18
TPSA94.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-[5-ethyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide
CID 46106994
N-[1-(3-cyanophenyl)-5-methylpyrazol-3-yl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 166225169
N-(4-chloro-2-pyridinyl)-3-cyanobenzamide
CID 108797461
4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide
CID 46107065
3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838350
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide
CID 46107097
3-cyano-N-(2-oxopropyl)benzamide
CID 64997343
3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide
CID 19399761
3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 2649522
3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 24709345
3-cyano-N-(5-methyl-3-pyridinyl)benzamide
CID 110727253
3-cyano-N-(5-iodo-2-pyridinyl)benzamide
CID 65098930

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]benzamide?
The IUPAC name of 3-cyano-N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]benzamide (CID 46107962) is 3-cyano-N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]benzamide?
The canonical SMILES for 3-cyano-N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]benzamide is Cc1cc(NC(=O)c2cccc(C#N)c2)nn1-c1ccc(C#N)cc1.
What is the InChIKey of 3-cyano-N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]benzamide?
The InChIKey is TZXVIHSDDDSAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O/c1-13-9-18(22-19(25)16-4-2-3-15(10-16)12-21)23-24(13)17-7-5-14(11-20)6-8-17/h2-10H,1H3,(H,22,23,25).
What are the key properties of 3-cyano-N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]benzamide?
3-cyano-N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]benzamide has a molecular weight of 327.35 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]benzamide is sourced from PubChem (CID 46107962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).