4-[(3-cyanobenzoyl)amino]-N-(2-cyanoethyl)-1H-pyrazole-5-carboxamide

C15H12N6O2 — CID 68990628

IUPAC4-[(3-cyanobenzoyl)amino]-N-(2-cyanoethyl)-1H-pyrazole-5-carboxamide
SMILESN#CCCNC(=O)c1[nH]ncc1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H12N6O2/c16-5-2-6-18-15(23)13-12(9-19-21-13)20-14(22)11-4-1-3-10(7-11)8-17/h1,3-4,7,9H,2,6H2,(H,18,23)(H,19,21)(H,20,22)
InChIKeyYOVJDEFLAZTBBE-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.18
Rot. Bonds5

About 4-[(3-cyanobenzoyl)amino]-N-(2-cyanoethyl)-1H-pyrazole-5-carboxamide

4-[(3-cyanobenzoyl)amino]-N-(2-cyanoethyl)-1H-pyrazole-5-carboxamide (PubChem CID 68990628) has the molecular formula C15H12N6O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 4-[(3-cyanobenzoyl)amino]-N-(2-cyanoethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(3-cyanobenzoyl)amino]-N-(2-cyanoethyl)-1H-pyrazole-5-carboxamide
PubChem CID68990628
Molecular FormulaC15H12N6O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC Name4-[(3-cyanobenzoyl)amino]-N-(2-cyanoethyl)-1H-pyrazole-5-carboxamide
SMILESN#CCCNC(=O)c1[nH]ncc1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H12N6O2/c16-5-2-6-18-15(23)13-12(9-19-21-13)20-14(22)11-4-1-3-10(7-11)8-17/h1,3-4,7,9H,2,6H2,(H,18,23)(H,19,21)(H,20,22)
InChIKeyYOVJDEFLAZTBBE-UHFFFAOYSA-N
XLogP1.18
TPSA134.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(3-cyanobenzoyl)amino]-N-(2-cyanoethyl)-1H-pyrazole-5-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-(2-cyanoethyl)-4-[(4-methylbenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 68991326
4-[(5-bromofuran-2-carbonyl)amino]-N-(2-cyanoethyl)-1H-pyrazole-5-carboxamide
CID 68987669
3-cyano-N-(4-cyanobutyl)benzamide
CID 63284789
N-(5-chloro-2-methylphenyl)-3-cyanobenzamide
CID 7719573
3-cyano-N-(2-iodophenyl)benzamide
CID 7900624
N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide
CID 78993904
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
N-[5-(cyanomethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide
CID 86631239
3-cyano-N-(3-oxopropyl)benzamide
CID 166591775
7-[(3-cyanobenzoyl)amino]heptanoic acid
CID 24707354
3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide
CID 43369330
3-cyano-N-(1,5-dimethylpyrazol-4-yl)benzamide
CID 19399761

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyanobenzoyl)amino]-N-(2-cyanoethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(3-cyanobenzoyl)amino]-N-(2-cyanoethyl)-1H-pyrazole-5-carboxamide (CID 68990628) is 4-[(3-cyanobenzoyl)amino]-N-(2-cyanoethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(3-cyanobenzoyl)amino]-N-(2-cyanoethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(3-cyanobenzoyl)amino]-N-(2-cyanoethyl)-1H-pyrazole-5-carboxamide is N#CCCNC(=O)c1[nH]ncc1NC(=O)c1cccc(C#N)c1.
What is the InChIKey of 4-[(3-cyanobenzoyl)amino]-N-(2-cyanoethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is YOVJDEFLAZTBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2/c16-5-2-6-18-15(23)13-12(9-19-21-13)20-14(22)11-4-1-3-10(7-11)8-17/h1,3-4,7,9H,2,6H2,(H,18,23)(H,19,21)(H,20,22).
What are the key properties of 4-[(3-cyanobenzoyl)amino]-N-(2-cyanoethyl)-1H-pyrazole-5-carboxamide?
4-[(3-cyanobenzoyl)amino]-N-(2-cyanoethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 308.30 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyanobenzoyl)amino]-N-(2-cyanoethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 68990628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).