N-(4-cyano-1H-pyrazol-5-yl)-2-oxochromene-3-carboxamide

C14H8N4O3 — CID 110473786

IUPACN-(4-cyano-1H-pyrazol-5-yl)-2-oxochromene-3-carboxamide
SMILESN#Cc1cn[nH]c1NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C14H8N4O3/c15-6-9-7-16-18-12(9)17-13(19)10-5-8-3-1-2-4-11(8)21-14(10)20/h1-5,7H,(H2,16,17,18,19)
InChIKeyRBVHWNURSAWHLX-UHFFFAOYSA-N
MW280.24 g/mol
LogP1.64
Rot. Bonds2

About N-(4-cyano-1H-pyrazol-5-yl)-2-oxochromene-3-carboxamide

N-(4-cyano-1H-pyrazol-5-yl)-2-oxochromene-3-carboxamide (PubChem CID 110473786) has the molecular formula C14H8N4O3 and a molecular weight of 280.24 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-2-oxochromene-3-carboxamide
PubChem CID110473786
Molecular FormulaC14H8N4O3
Molecular Weight280.24 g/mol
Exact Mass280.06
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-2-oxochromene-3-carboxamide
SMILESN#Cc1cn[nH]c1NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C14H8N4O3/c15-6-9-7-16-18-12(9)17-13(19)10-5-8-3-1-2-4-11(8)21-14(10)20/h1-5,7H,(H2,16,17,18,19)
InChIKeyRBVHWNURSAWHLX-UHFFFAOYSA-N
XLogP1.64
TPSA111.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze N-(4-cyano-1H-pyrazol-5-yl)-2-oxochromene-3-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-(3-cyano-4,5-dimethylfuran-2-yl)-2-oxochromene-3-carboxamide
CID 108740106
4-amino-2-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 110473991
4-(2-oxochromene-3-carbonyl)benzonitrile
CID 12777069
N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide
CID 42618006
2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 79503936
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
4-bromo-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide
CID 79504305
N-(2-ethylpyrimidin-5-yl)-2-oxochromene-3-carboxamide
CID 136516823
3-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide
CID 110473457
2-bromo-5-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 114027651
N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 1442136
N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-2-oxochromene-3-carboxamide (CID 110473786) is N-(4-cyano-1H-pyrazol-5-yl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-2-oxochromene-3-carboxamide is N#Cc1cn[nH]c1NC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-2-oxochromene-3-carboxamide?
The InChIKey is RBVHWNURSAWHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4O3/c15-6-9-7-16-18-12(9)17-13(19)10-5-8-3-1-2-4-11(8)21-14(10)20/h1-5,7H,(H2,16,17,18,19).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-2-oxochromene-3-carboxamide?
N-(4-cyano-1H-pyrazol-5-yl)-2-oxochromene-3-carboxamide has a molecular weight of 280.24 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 110473786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).