3-cyano-N-[5-ethyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide

C20H18N4O — CID 46106994

IUPAC3-cyano-N-[5-ethyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide
SMILESCCc1cc(NC(=O)c2cccc(C#N)c2)nn1-c1cccc(C)c1
InChIInChI=1S/C20H18N4O/c1-3-17-12-19(23-24(17)18-9-4-6-14(2)10-18)22-20(25)16-8-5-7-15(11-16)13-21/h4-12H,3H2,1-2H3,(H,22,23,25)
InChIKeyQZCQXPDWYKIWNQ-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.87
Rot. Bonds4

About 3-cyano-N-[5-ethyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide

3-cyano-N-[5-ethyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide (PubChem CID 46106994) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-cyano-N-[5-ethyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[5-ethyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide
PubChem CID46106994
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name3-cyano-N-[5-ethyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide
SMILESCCc1cc(NC(=O)c2cccc(C#N)c2)nn1-c1cccc(C)c1
InChIInChI=1S/C20H18N4O/c1-3-17-12-19(23-24(17)18-9-4-6-14(2)10-18)22-20(25)16-8-5-7-15(11-16)13-21/h4-12H,3H2,1-2H3,(H,22,23,25)
InChIKeyQZCQXPDWYKIWNQ-UHFFFAOYSA-N
XLogP3.87
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]benzamide
CID 46107962
N-[5-ethyl-1-(4-methoxyphenyl)pyrazol-3-yl]-3-methoxybenzamide
CID 46106932
N-[1-(4-cyanophenyl)-5-ethylpyrazol-3-yl]-2,4-difluorobenzamide
CID 46106892
N-(4-chloro-2-pyridinyl)-3-cyanobenzamide
CID 108797461
N-(2-chloro-4-methylphenyl)-3-cyanobenzamide
CID 7760531
3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838350
3-cyano-N-(5-methyl-3-pyridinyl)benzamide
CID 110727253
N-[1-(3-cyanophenyl)-5-methylpyrazol-3-yl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 166225169
3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane
CID 145349636
3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide
CID 19399761
3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 24709345
3-cyano-N-ethyl-N-(3-methylphenyl)benzamide
CID 60737545

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[5-ethyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide?
The IUPAC name of 3-cyano-N-[5-ethyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide (CID 46106994) is 3-cyano-N-[5-ethyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[5-ethyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 3-cyano-N-[5-ethyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide is CCc1cc(NC(=O)c2cccc(C#N)c2)nn1-c1cccc(C)c1.
What is the InChIKey of 3-cyano-N-[5-ethyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide?
The InChIKey is QZCQXPDWYKIWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-3-17-12-19(23-24(17)18-9-4-6-14(2)10-18)22-20(25)16-8-5-7-15(11-16)13-21/h4-12H,3H2,1-2H3,(H,22,23,25).
What are the key properties of 3-cyano-N-[5-ethyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide?
3-cyano-N-[5-ethyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide has a molecular weight of 330.39 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[5-ethyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 46106994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).