N-(4-carbamoylphenyl)-1-ethylpyrazole-3-carboxamide

C13H14N4O2 — CID 6469151

IUPACN-(4-carbamoylphenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C13H14N4O2/c1-2-17-8-7-11(16-17)13(19)15-10-5-3-9(4-6-10)12(14)18/h3-8H,2H2,1H3,(H2,14,18)(H,15,19)
InChIKeyRQQWZZRVYLRNEQ-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.25
Rot. Bonds4

About N-(4-carbamoylphenyl)-1-ethylpyrazole-3-carboxamide

N-(4-carbamoylphenyl)-1-ethylpyrazole-3-carboxamide (PubChem CID 6469151) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-1-ethylpyrazole-3-carboxamide
PubChem CID6469151
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-(4-carbamoylphenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C13H14N4O2/c1-2-17-8-7-11(16-17)13(19)15-10-5-3-9(4-6-10)12(14)18/h3-8H,2H2,1H3,(H2,14,18)(H,15,19)
InChIKeyRQQWZZRVYLRNEQ-UHFFFAOYSA-N
XLogP1.25
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-carbamoylphenyl)-1-ethylpyrazole-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

propyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate
CID 19580076
1-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrazole-3-carboxamide
CID 131908281
N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide
CID 6470772
N-(3-bromophenyl)-1-ethylpyrazole-3-carboxamide
CID 6466747
N,1-diethylpyrazole-3-carboxamide
CID 19262384
3-[3-[(4-acetylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506493
N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-1-methylpyrazole-3-carboxamide
CID 103121322
2-[5-[[4-[(1-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487715
1-propyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 35325067
1-ethyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrazole-3-carboxamide
CID 35531873
1-ethyl-N-[1-(methoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262380
1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 19262208

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-1-ethylpyrazole-3-carboxamide (CID 6469151) is N-(4-carbamoylphenyl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-1-ethylpyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2ccc(C(N)=O)cc2)n1.
What is the InChIKey of N-(4-carbamoylphenyl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is RQQWZZRVYLRNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-2-17-8-7-11(16-17)13(19)15-10-5-3-9(4-6-10)12(14)18/h3-8H,2H2,1H3,(H2,14,18)(H,15,19).
What are the key properties of N-(4-carbamoylphenyl)-1-ethylpyrazole-3-carboxamide?
N-(4-carbamoylphenyl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 6469151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).