3-chloro-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide

C13H16ClN3OS — CID 103403401

IUPAC3-chloro-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCCc2cn[nH]c2C)c1Cl
InChIInChI=1S/C13H16ClN3OS/c1-8-7-19-12(11(8)14)13(18)15-5-3-4-10-6-16-17-9(10)2/h6-7H,3-5H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyOHDNKTMSYFPCEV-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.10
Rot. Bonds5

About 3-chloro-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide

3-chloro-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide (PubChem CID 103403401) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide
PubChem CID103403401
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC Name3-chloro-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCCc2cn[nH]c2C)c1Cl
InChIInChI=1S/C13H16ClN3OS/c1-8-7-19-12(11(8)14)13(18)15-5-3-4-10-6-16-17-9(10)2/h6-7H,3-5H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyOHDNKTMSYFPCEV-UHFFFAOYSA-N
XLogP3.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-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 3-chloro-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide (CID 103403401) is 3-chloro-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide is Cc1csc(C(=O)NCCCc2cn[nH]c2C)c1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide?
The InChIKey is OHDNKTMSYFPCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3OS/c1-8-7-19-12(11(8)14)13(18)15-5-3-4-10-6-16-17-9(10)2/h6-7H,3-5H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 3-chloro-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide?
3-chloro-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide has a molecular weight of 297.81 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 103403401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).