2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[3-(dimethylamino)propyl]acetamide

C17H23ClN4O — CID 71703964

IUPAC2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[3-(dimethylamino)propyl]acetamide
SMILESCc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)NCCCN(C)C
InChIInChI=1S/C17H23ClN4O/c1-12-15(11-16(23)19-9-4-10-22(2)3)17(21-20-12)13-5-7-14(18)8-6-13/h5-8H,4,9-11H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyRIYSOOLNQOLGHB-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.65
Rot. Bonds7

About 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[3-(dimethylamino)propyl]acetamide

2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 71703964) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[3-(dimethylamino)propyl]acetamide
PubChem CID71703964
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[3-(dimethylamino)propyl]acetamide
SMILESCc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)NCCCN(C)C
InChIInChI=1S/C17H23ClN4O/c1-12-15(11-16(23)19-9-4-10-22(2)3)17(21-20-12)13-5-7-14(18)8-6-13/h5-8H,4,9-11H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyRIYSOOLNQOLGHB-UHFFFAOYSA-N
XLogP2.65
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[3-(dimethylamino)propyl]acetamide 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 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[3-(dimethylamino)propyl]acetamide (CID 71703964) is 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[3-(dimethylamino)propyl]acetamide is Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)NCCCN(C)C.
What is the InChIKey of 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is RIYSOOLNQOLGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O/c1-12-15(11-16(23)19-9-4-10-22(2)3)17(21-20-12)13-5-7-14(18)8-6-13/h5-8H,4,9-11H2,1-3H3,(H,19,23)(H,20,21).
What are the key properties of 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[3-(dimethylamino)propyl]acetamide?
2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 334.85 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 71703964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).