3-(5-amino-4-cyanopyrazol-1-yl)-N-methyl-N-(4-phenylphenyl)benzamide

C24H19N5O — CID 99812111

IUPAC3-(5-amino-4-cyanopyrazol-1-yl)-N-methyl-N-(4-phenylphenyl)benzamide
SMILESCN(C(=O)c1cccc(-n2ncc(C#N)c2N)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H19N5O/c1-28(21-12-10-18(11-13-21)17-6-3-2-4-7-17)24(30)19-8-5-9-22(14-19)29-23(26)20(15-25)16-27-29/h2-14,16H,26H2,1H3
InChIKeyFAPAOGGKHMFLJI-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.27
Rot. Bonds4

About 3-(5-amino-4-cyanopyrazol-1-yl)-N-methyl-N-(4-phenylphenyl)benzamide

3-(5-amino-4-cyanopyrazol-1-yl)-N-methyl-N-(4-phenylphenyl)benzamide (PubChem CID 99812111) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is 3-(5-amino-4-cyanopyrazol-1-yl)-N-methyl-N-(4-phenylphenyl)benzamide.

Molecular Properties

Compound Name3-(5-amino-4-cyanopyrazol-1-yl)-N-methyl-N-(4-phenylphenyl)benzamide
PubChem CID99812111
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC Name3-(5-amino-4-cyanopyrazol-1-yl)-N-methyl-N-(4-phenylphenyl)benzamide
SMILESCN(C(=O)c1cccc(-n2ncc(C#N)c2N)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H19N5O/c1-28(21-12-10-18(11-13-21)17-6-3-2-4-7-17)24(30)19-8-5-9-22(14-19)29-23(26)20(15-25)16-27-29/h2-14,16H,26H2,1H3
InChIKeyFAPAOGGKHMFLJI-UHFFFAOYSA-N
XLogP4.27
TPSA87.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-4-cyanopyrazol-1-yl)-N-methyl-N-(4-phenylphenyl)benzamide?
The IUPAC name of 3-(5-amino-4-cyanopyrazol-1-yl)-N-methyl-N-(4-phenylphenyl)benzamide (CID 99812111) is 3-(5-amino-4-cyanopyrazol-1-yl)-N-methyl-N-(4-phenylphenyl)benzamide.
What is the SMILES notation for 3-(5-amino-4-cyanopyrazol-1-yl)-N-methyl-N-(4-phenylphenyl)benzamide?
The canonical SMILES for 3-(5-amino-4-cyanopyrazol-1-yl)-N-methyl-N-(4-phenylphenyl)benzamide is CN(C(=O)c1cccc(-n2ncc(C#N)c2N)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-(5-amino-4-cyanopyrazol-1-yl)-N-methyl-N-(4-phenylphenyl)benzamide?
The InChIKey is FAPAOGGKHMFLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c1-28(21-12-10-18(11-13-21)17-6-3-2-4-7-17)24(30)19-8-5-9-22(14-19)29-23(26)20(15-25)16-27-29/h2-14,16H,26H2,1H3.
What are the key properties of 3-(5-amino-4-cyanopyrazol-1-yl)-N-methyl-N-(4-phenylphenyl)benzamide?
3-(5-amino-4-cyanopyrazol-1-yl)-N-methyl-N-(4-phenylphenyl)benzamide has a molecular weight of 393.45 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-4-cyanopyrazol-1-yl)-N-methyl-N-(4-phenylphenyl)benzamide is sourced from PubChem (CID 99812111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).