N-(3-amino-4-ethylphenyl)-1-methylpyrazole-3-carboxamide

C13H16N4O — CID 103116113

IUPACN-(3-amino-4-ethylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCCc1ccc(NC(=O)c2ccn(C)n2)cc1N
InChIInChI=1S/C13H16N4O/c1-3-9-4-5-10(8-11(9)14)15-13(18)12-6-7-17(2)16-12/h4-8H,3,14H2,1-2H3,(H,15,18)
InChIKeyHIOXGXSUIRKWFV-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.82
Rot. Bonds3

About N-(3-amino-4-ethylphenyl)-1-methylpyrazole-3-carboxamide

N-(3-amino-4-ethylphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 103116113) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(3-amino-4-ethylphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-ethylphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID103116113
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-(3-amino-4-ethylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCCc1ccc(NC(=O)c2ccn(C)n2)cc1N
InChIInChI=1S/C13H16N4O/c1-3-9-4-5-10(8-11(9)14)15-13(18)12-6-7-17(2)16-12/h4-8H,3,14H2,1-2H3,(H,15,18)
InChIKeyHIOXGXSUIRKWFV-UHFFFAOYSA-N
XLogP1.82
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-amino-4-ethylphenyl)-1-methylpyrazole-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

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-ethylphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-amino-4-ethylphenyl)-1-methylpyrazole-3-carboxamide (CID 103116113) is N-(3-amino-4-ethylphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-4-ethylphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-amino-4-ethylphenyl)-1-methylpyrazole-3-carboxamide is CCc1ccc(NC(=O)c2ccn(C)n2)cc1N.
What is the InChIKey of N-(3-amino-4-ethylphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is HIOXGXSUIRKWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-9-4-5-10(8-11(9)14)15-13(18)12-6-7-17(2)16-12/h4-8H,3,14H2,1-2H3,(H,15,18).
What are the key properties of N-(3-amino-4-ethylphenyl)-1-methylpyrazole-3-carboxamide?
N-(3-amino-4-ethylphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-ethylphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103116113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).