1-(4-fluorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide

C17H16FN3OS2 — CID 46429870

IUPAC1-(4-fluorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide
SMILESO=C(NCCSCc1cccs1)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H16FN3OS2/c18-13-3-5-14(6-4-13)21-9-7-16(20-21)17(22)19-8-11-23-12-15-2-1-10-24-15/h1-7,9-10H,8,11-12H2,(H,19,22)
InChIKeyOWAUPBQDYRNGLU-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.74
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide

1-(4-fluorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide (PubChem CID 46429870) has the molecular formula C17H16FN3OS2 and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide
PubChem CID46429870
Molecular FormulaC17H16FN3OS2
Molecular Weight361.47 g/mol
Exact Mass361.07
IUPAC Name1-(4-fluorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide
SMILESO=C(NCCSCc1cccs1)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H16FN3OS2/c18-13-3-5-14(6-4-13)21-9-7-16(20-21)17(22)19-8-11-23-12-15-2-1-10-24-15/h1-7,9-10H,8,11-12H2,(H,19,22)
InChIKeyOWAUPBQDYRNGLU-UHFFFAOYSA-N
XLogP3.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-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 1-(4-fluorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide (CID 46429870) is 1-(4-fluorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide is O=C(NCCSCc1cccs1)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide?
The InChIKey is OWAUPBQDYRNGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3OS2/c18-13-3-5-14(6-4-13)21-9-7-16(20-21)17(22)19-8-11-23-12-15-2-1-10-24-15/h1-7,9-10H,8,11-12H2,(H,19,22).
What are the key properties of 1-(4-fluorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 46429870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).