5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide

C15H18ClN3O — CID 110336255

IUPAC5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C15H18ClN3O/c1-4-19(5-2)15(20)13-10-14(18(3)17-13)11-6-8-12(16)9-7-11/h6-10H,4-5H2,1-3H3
InChIKeyUNOUDFTUDASZOK-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.22
Rot. Bonds4

About 5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide

5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide (PubChem CID 110336255) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide
PubChem CID110336255
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C15H18ClN3O/c1-4-19(5-2)15(20)13-10-14(18(3)17-13)11-6-8-12(16)9-7-11/h6-10H,4-5H2,1-3H3
InChIKeyUNOUDFTUDASZOK-UHFFFAOYSA-N
XLogP3.22
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(4-chlorophenyl)-N,N-diethyl-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 5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide (CID 110336255) is 5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide is CCN(CC)C(=O)c1cc(-c2ccc(Cl)cc2)n(C)n1.
What is the InChIKey of 5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide?
The InChIKey is UNOUDFTUDASZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-4-19(5-2)15(20)13-10-14(18(3)17-13)11-6-8-12(16)9-7-11/h6-10H,4-5H2,1-3H3.
What are the key properties of 5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide?
5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide has a molecular weight of 291.78 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110336255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).