3-(4-cyanoanilino)-N-methyl-N-(1H-pyrazol-4-yl)benzamide

C18H15N5O — CID 167943910

IUPAC3-(4-cyanoanilino)-N-methyl-N-(1H-pyrazol-4-yl)benzamide
SMILESCN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1cn[nH]c1
InChIInChI=1S/C18H15N5O/c1-23(17-11-20-21-12-17)18(24)14-3-2-4-16(9-14)22-15-7-5-13(10-19)6-8-15/h2-9,11-12,22H,1H3,(H,20,21)
InChIKeyCSWQDRJCINWHIA-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.30
Rot. Bonds4

About 3-(4-cyanoanilino)-N-methyl-N-(1H-pyrazol-4-yl)benzamide

3-(4-cyanoanilino)-N-methyl-N-(1H-pyrazol-4-yl)benzamide (PubChem CID 167943910) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-(4-cyanoanilino)-N-methyl-N-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-(4-cyanoanilino)-N-methyl-N-(1H-pyrazol-4-yl)benzamide
PubChem CID167943910
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name3-(4-cyanoanilino)-N-methyl-N-(1H-pyrazol-4-yl)benzamide
SMILESCN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1cn[nH]c1
InChIInChI=1S/C18H15N5O/c1-23(17-11-20-21-12-17)18(24)14-3-2-4-16(9-14)22-15-7-5-13(10-19)6-8-15/h2-9,11-12,22H,1H3,(H,20,21)
InChIKeyCSWQDRJCINWHIA-UHFFFAOYSA-N
XLogP3.30
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-cyanoanilino)-N-methyl-N-(1H-pyrazol-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-cyanophenyl)-3-methoxy-N-methylbenzamide
CID 62982758
N-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide
CID 62983461
N-(4-cyanophenyl)-N-methyl-3-sulfanylbenzamide
CID 107028997
N-methyl-3-oxo-N-(1H-pyrazol-4-yl)-4H-quinoxaline-6-carboxamide
CID 167767821
N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide
CID 60786152
3-(1H-pyrazol-4-ylamino)benzoic acid
CID 115022807
methyl 3-[[5-(4-cyanoanilino)pyridine-3-carbonyl]amino]benzoate
CID 109245941
N-(4-cyanophenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62970236
N-(4-cyanophenyl)-N-methyl-3-nitrobenzamide
CID 62983456
3-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 47407969
6-bromo-N-(4-cyanophenyl)-N-methylpyridine-3-carboxamide
CID 66463352
N-(4-cyanophenyl)-N-methylpyridazine-4-carboxamide
CID 104670312

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanoanilino)-N-methyl-N-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3-(4-cyanoanilino)-N-methyl-N-(1H-pyrazol-4-yl)benzamide (CID 167943910) is 3-(4-cyanoanilino)-N-methyl-N-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3-(4-cyanoanilino)-N-methyl-N-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3-(4-cyanoanilino)-N-methyl-N-(1H-pyrazol-4-yl)benzamide is CN(C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1cn[nH]c1.
What is the InChIKey of 3-(4-cyanoanilino)-N-methyl-N-(1H-pyrazol-4-yl)benzamide?
The InChIKey is CSWQDRJCINWHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-23(17-11-20-21-12-17)18(24)14-3-2-4-16(9-14)22-15-7-5-13(10-19)6-8-15/h2-9,11-12,22H,1H3,(H,20,21).
What are the key properties of 3-(4-cyanoanilino)-N-methyl-N-(1H-pyrazol-4-yl)benzamide?
3-(4-cyanoanilino)-N-methyl-N-(1H-pyrazol-4-yl)benzamide has a molecular weight of 317.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanoanilino)-N-methyl-N-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 167943910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).