2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid

C13H14N4O3 — CID 118877078

IUPAC2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
SMILESO=C(O)NCCNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C13H14N4O3/c18-12(14-6-7-15-13(19)20)11-8-10(16-17-11)9-4-2-1-3-5-9/h1-5,8,15H,6-7H2,(H,14,18)(H,16,17)(H,19,20)
InChIKeyYWUKKCCQADBZAO-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.07
Rot. Bonds5

About 2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid

2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid (PubChem CID 118877078) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid.

Molecular Properties

Compound Name2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
PubChem CID118877078
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
SMILESO=C(O)NCCNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C13H14N4O3/c18-12(14-6-7-15-13(19)20)11-8-10(16-17-11)9-4-2-1-3-5-9/h1-5,8,15H,6-7H2,(H,14,18)(H,16,17)(H,19,20)
InChIKeyYWUKKCCQADBZAO-UHFFFAOYSA-N
XLogP1.07
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid 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-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945
N-[(E)-pent-3-enyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 115628445
N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17499235
N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889561
N-(5-hydroxy-4-methylpentyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 103862071
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 103767439
4-phenyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide
CID 131990295
N-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 115612805
N-[3-[(3-aminobenzoyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 131990206
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259
5-methyl-2-oxo-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1H-pyridine-3-carboxamide
CID 131990271
N-[3-[(5-bromofuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 131990274

Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid?
The IUPAC name of 2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid (CID 118877078) is 2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid.
What is the SMILES notation for 2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid?
The canonical SMILES for 2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid is O=C(O)NCCNC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid?
The InChIKey is YWUKKCCQADBZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c18-12(14-6-7-15-13(19)20)11-8-10(16-17-11)9-4-2-1-3-5-9/h1-5,8,15H,6-7H2,(H,14,18)(H,16,17)(H,19,20).
What are the key properties of 2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid?
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid has a molecular weight of 274.28 g/mol, XLogP of 1.07, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid is sourced from PubChem (CID 118877078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).