5-amino-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide

C13H15ClN4O — CID 13174843

IUPAC5-amino-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)c(N)c1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN4O/c1-3-10-11(12(15)18(2)17-10)13(19)16-9-6-4-8(14)5-7-9/h4-7H,3,15H2,1-2H3,(H,16,19)
InChIKeyWATVOEGHMPZYCH-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.47
Rot. Bonds3

About 5-amino-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide

5-amino-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide (PubChem CID 13174843) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 5-amino-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide
PubChem CID13174843
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name5-amino-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)c(N)c1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN4O/c1-3-10-11(12(15)18(2)17-10)13(19)16-9-6-4-8(14)5-7-9/h4-7H,3,15H2,1-2H3,(H,16,19)
InChIKeyWATVOEGHMPZYCH-UHFFFAOYSA-N
XLogP2.47
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazole-4-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

5-amino-N-(4-chlorophenyl)-1-methylimidazole-4-carboxamide
CID 59141435
5-chloro-2-ethyl-N-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 145065974
4-amino-N-(4-chlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 65357708
N-(4-ethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281528
4-[5-amino-4-[(3-chloro-4-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]cyclohexane-1-carboxylic acid
CID 166808577
5-chloro-3-ethyl-1-methylpyrazole-4-carboxamide
CID 130628105
4-chloro-N-[(4-chlorophenyl)methylideneamino]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 724099
4-amino-3-ethyl-1-methyl-N-(3,4,5-trifluorophenyl)pyrazole-5-carboxamide
CID 66117392
3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide
CID 79772724
5-amino-1-tert-butyl-N-(4-chlorophenyl)pyrazole-4-carboxamide
CID 166238811
4-chloro-N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide
CID 985907
1-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)urea
CID 43551516

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide (CID 13174843) is 5-amino-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide is CCc1nn(C)c(N)c1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 5-amino-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The InChIKey is WATVOEGHMPZYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-3-10-11(12(15)18(2)17-10)13(19)16-9-6-4-8(14)5-7-9/h4-7H,3,15H2,1-2H3,(H,16,19).
What are the key properties of 5-amino-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
5-amino-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-chlorophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 13174843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).