4-cyano-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide

C19H16N4O — CID 39853571

IUPAC4-cyano-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
SMILESCc1cccc(Cn2cc(NC(=O)c3ccc(C#N)cc3)cn2)c1
InChIInChI=1S/C19H16N4O/c1-14-3-2-4-16(9-14)12-23-13-18(11-21-23)22-19(24)17-7-5-15(10-20)6-8-17/h2-9,11,13H,12H2,1H3,(H,22,24)
InChIKeyGGSOUJANTOATIR-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.36
Rot. Bonds4

About 4-cyano-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide

4-cyano-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 39853571) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-cyano-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID39853571
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name4-cyano-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
SMILESCc1cccc(Cn2cc(NC(=O)c3ccc(C#N)cc3)cn2)c1
InChIInChI=1S/C19H16N4O/c1-14-3-2-4-16(9-14)12-23-13-18(11-21-23)22-19(24)17-7-5-15(10-20)6-8-17/h2-9,11,13H,12H2,1H3,(H,22,24)
InChIKeyGGSOUJANTOATIR-UHFFFAOYSA-N
XLogP3.36
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-cyanobenzamide
CID 35277892
3-(difluoromethoxy)-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19336243
2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19336310
1-ethyl-5-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280821
4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338140
4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide
CID 19476743
4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19267419
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19336255
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-cyanobenzamide
CID 19404043
3-cyano-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19411687
4-iodo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19479936
4,5-dibromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 19508563

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 4-cyano-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide (CID 39853571) is 4-cyano-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-cyano-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 4-cyano-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide is Cc1cccc(Cn2cc(NC(=O)c3ccc(C#N)cc3)cn2)c1.
What is the InChIKey of 4-cyano-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is GGSOUJANTOATIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-14-3-2-4-16(9-14)12-23-13-18(11-21-23)22-19(24)17-7-5-15(10-20)6-8-17/h2-9,11,13H,12H2,1H3,(H,22,24).
What are the key properties of 4-cyano-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide?
4-cyano-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 316.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 39853571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).