N-(4-cyano-1-phenylpyrazol-5-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide

C21H17N5O2 — CID 108797719

IUPACN-(4-cyano-1-phenylpyrazol-5-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
SMILESN#Cc1cnn(-c2ccccc2)c1NC(=O)c1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C21H17N5O2/c22-12-16-13-23-26(17-6-2-1-3-7-17)20(16)25-21(28)15-9-10-18-14(11-15)5-4-8-19(27)24-18/h1-3,6-7,9-11,13H,4-5,8H2,(H,24,27)(H,25,28)
InChIKeyRJZOTRXFLVGWSA-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.27
Rot. Bonds3

About N-(4-cyano-1-phenylpyrazol-5-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide

N-(4-cyano-1-phenylpyrazol-5-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide (PubChem CID 108797719) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(4-cyano-1-phenylpyrazol-5-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1-phenylpyrazol-5-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
PubChem CID108797719
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC NameN-(4-cyano-1-phenylpyrazol-5-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
SMILESN#Cc1cnn(-c2ccccc2)c1NC(=O)c1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C21H17N5O2/c22-12-16-13-23-26(17-6-2-1-3-7-17)20(16)25-21(28)15-9-10-18-14(11-15)5-4-8-19(27)24-18/h1-3,6-7,9-11,13H,4-5,8H2,(H,24,27)(H,25,28)
InChIKeyRJZOTRXFLVGWSA-UHFFFAOYSA-N
XLogP3.27
TPSA99.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-cyano-1-phenylpyrazol-5-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide 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-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108797995
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108797999
N-(4-cyano-1-phenylpyrazol-5-yl)-1-ethylpyrazole-4-carboxamide
CID 19281155
4-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide
CID 108784552
methyl 2-[(4-cyano-1-phenylpyrazol-5-yl)carbamoyl]benzoate
CID 108798676
methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzoate
CID 108784479
N-(2-morpholin-4-ylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784537
N-(4-cyano-1-phenylpyrazol-5-yl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447094
N-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797826
N-(4-chloro-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784501
N-(3-chloro-2-methylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 39889362
N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797709

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide (CID 108797719) is N-(4-cyano-1-phenylpyrazol-5-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide.
What is the SMILES notation for N-(4-cyano-1-phenylpyrazol-5-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The canonical SMILES for N-(4-cyano-1-phenylpyrazol-5-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide is N#Cc1cnn(-c2ccccc2)c1NC(=O)c1ccc2c(c1)CCCC(=O)N2.
What is the InChIKey of N-(4-cyano-1-phenylpyrazol-5-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The InChIKey is RJZOTRXFLVGWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c22-12-16-13-23-26(17-6-2-1-3-7-17)20(16)25-21(28)15-9-10-18-14(11-15)5-4-8-19(27)24-18/h1-3,6-7,9-11,13H,4-5,8H2,(H,24,27)(H,25,28).
What are the key properties of N-(4-cyano-1-phenylpyrazol-5-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
N-(4-cyano-1-phenylpyrazol-5-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-phenylpyrazol-5-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide is sourced from PubChem (CID 108797719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).