4-[5-[1-(2-cyanophenyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]benzamide

C23H17N5O2 — CID 135355241

IUPAC4-[5-[1-(2-cyanophenyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]benzamide
SMILESCn1cc(-c2cnn(-c3ccccc3C#N)c2)c(-c2ccc(C(N)=O)cc2)cc1=O
InChIInChI=1S/C23H17N5O2/c1-27-14-20(18-12-26-28(13-18)21-5-3-2-4-17(21)11-24)19(10-22(27)29)15-6-8-16(9-7-15)23(25)30/h2-10,12-14H,1H3,(H2,25,30)
InChIKeyJBOBZZJUHOJYAJ-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.88
Rot. Bonds4

About 4-[5-[1-(2-cyanophenyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]benzamide

4-[5-[1-(2-cyanophenyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]benzamide (PubChem CID 135355241) has the molecular formula C23H17N5O2 and a molecular weight of 395.42 g/mol. Its IUPAC name is 4-[5-[1-(2-cyanophenyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[5-[1-(2-cyanophenyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]benzamide
PubChem CID135355241
Molecular FormulaC23H17N5O2
Molecular Weight395.42 g/mol
Exact Mass395.14
IUPAC Name4-[5-[1-(2-cyanophenyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]benzamide
SMILESCn1cc(-c2cnn(-c3ccccc3C#N)c2)c(-c2ccc(C(N)=O)cc2)cc1=O
InChIInChI=1S/C23H17N5O2/c1-27-14-20(18-12-26-28(13-18)21-5-3-2-4-17(21)11-24)19(10-22(27)29)15-6-8-16(9-7-15)23(25)30/h2-10,12-14H,1H3,(H2,25,30)
InChIKeyJBOBZZJUHOJYAJ-UHFFFAOYSA-N
XLogP2.88
TPSA106.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[[(2S)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]carbamoyl]-2-methylphenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 139030331
N-allyl-1,5-diphenyl-1H-pyrazole-4-carboxamide
CID 3741646
N-[[4-(3-cyclohexylpropylcarbamoyl)phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 155546287
1H-Pyrazole-4-carboxamide, 1,3-diphenyl-
CID 882232
4-benzoyl-1-phenyl-1H-pyrazole-5-carbonitrile
CID 11630444
hCB1 Inhibitor, 2{5,1,6}
CID 57332998
hCB1 Inhibitor, 2{1,1,6}
CID 57333119
3-benzoyl-1-phenyl-1H-pyrazole-4-carbonitrile
CID 851569
N-(2-methylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 1329852
N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzamide
CID 2104088
N-(2,6-dimethylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 2123436
N-[(E)-hexan-2-ylideneamino]-1,3-diphenylpyrazole-4-carboxamide
CID 9642847

Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-(2-cyanophenyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]benzamide?
The IUPAC name of 4-[5-[1-(2-cyanophenyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]benzamide (CID 135355241) is 4-[5-[1-(2-cyanophenyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]benzamide.
What is the SMILES notation for 4-[5-[1-(2-cyanophenyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]benzamide?
The canonical SMILES for 4-[5-[1-(2-cyanophenyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]benzamide is Cn1cc(-c2cnn(-c3ccccc3C#N)c2)c(-c2ccc(C(N)=O)cc2)cc1=O.
What is the InChIKey of 4-[5-[1-(2-cyanophenyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]benzamide?
The InChIKey is JBOBZZJUHOJYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2/c1-27-14-20(18-12-26-28(13-18)21-5-3-2-4-17(21)11-24)19(10-22(27)29)15-6-8-16(9-7-15)23(25)30/h2-10,12-14H,1H3,(H2,25,30).
What are the key properties of 4-[5-[1-(2-cyanophenyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]benzamide?
4-[5-[1-(2-cyanophenyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]benzamide has a molecular weight of 395.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-(2-cyanophenyl)pyrazol-4-yl]-1-methyl-2-oxo-4-pyridinyl]benzamide is sourced from PubChem (CID 135355241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).