4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide

C14H17ClN4O — CID 65354207

IUPAC4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)c1nn(C)cc1N
InChIInChI=1S/C14H17ClN4O/c1-9(10-4-6-11(15)7-5-10)19(3)14(20)13-12(16)8-18(2)17-13/h4-9H,16H2,1-3H3
InChIKeyGUXQSZLXWMRZJH-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.49
Rot. Bonds3

About 4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide

4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 65354207) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID65354207
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)c1nn(C)cc1N
InChIInChI=1S/C14H17ClN4O/c1-9(10-4-6-11(15)7-5-10)19(3)14(20)13-12(16)8-18(2)17-13/h4-9H,16H2,1-3H3
InChIKeyGUXQSZLXWMRZJH-UHFFFAOYSA-N
XLogP2.49
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1-dimethylpyrazole-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 4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide (CID 65354207) is 4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide is CC(c1ccc(Cl)cc1)N(C)C(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is GUXQSZLXWMRZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-9(10-4-6-11(15)7-5-10)19(3)14(20)13-12(16)8-18(2)17-13/h4-9H,16H2,1-3H3.
What are the key properties of 4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide?
4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 65354207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).