N-benzyl-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide

C20H18N4O — CID 2473255

IUPACN-benzyl-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide
SMILESN#CCCn1cc(C(=O)NCc2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C20H18N4O/c21-12-7-13-24-15-18(19(23-24)17-10-5-2-6-11-17)20(25)22-14-16-8-3-1-4-9-16/h1-6,8-11,15H,7,13-14H2,(H,22,25)
InChIKeyFTJMZPMBOJTPSL-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.39
Rot. Bonds6

About N-benzyl-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide

N-benzyl-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide (PubChem CID 2473255) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-benzyl-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide
PubChem CID2473255
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-benzyl-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide
SMILESN#CCCn1cc(C(=O)NCc2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C20H18N4O/c21-12-7-13-24-15-18(19(23-24)17-10-5-2-6-11-17)20(25)22-14-16-8-3-1-4-9-16/h1-6,8-11,15H,7,13-14H2,(H,22,25)
InChIKeyFTJMZPMBOJTPSL-UHFFFAOYSA-N
XLogP3.39
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Fluxapyroxad
CID 16095400
1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde
CID 555820
1H-Pyrazole-4-carboxamide, 1,3-diphenyl-5-methyl-N-(phenylmethyl)-
CID 997622
1-benzyl-3-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde
CID 2063316
N-(3-methylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 3510494
1-benzyl-3-(4-ethylphenyl)-1H-pyrazole-4-carbaldehyde
CID 2446579
4-phenyl-N-[4-[propyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)amino]butyl]benzamide
CID 52937776
4-phenyl-N-[4-[propyl-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]amino]butyl]benzamide
CID 52937876
5-methyl-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 850329
5-methyl-N-(2-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 850355
N-(3-acetylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850362
N-(3-ethylphenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850903

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide?
The IUPAC name of N-benzyl-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide (CID 2473255) is N-benzyl-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide is N#CCCn1cc(C(=O)NCc2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of N-benzyl-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide?
The InChIKey is FTJMZPMBOJTPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c21-12-7-13-24-15-18(19(23-24)17-10-5-2-6-11-17)20(25)22-14-16-8-3-1-4-9-16/h1-6,8-11,15H,7,13-14H2,(H,22,25).
What are the key properties of N-benzyl-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide?
N-benzyl-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 2473255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).