3-(5-chlorothiophen-2-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide

C17H11ClN4OS2 — CID 1287682

IUPAC3-(5-chlorothiophen-2-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)s1
InChIInChI=1S/C17H11ClN4OS2/c18-14-7-6-13(25-14)15-12(16(23)20-17-19-8-9-24-17)10-22(21-15)11-4-2-1-3-5-11/h1-10H,(H,19,20,23)
InChIKeyYEMTUEBGZZBBHI-UHFFFAOYSA-N
MW386.89 g/mol
LogP4.96
Rot. Bonds4

About 3-(5-chlorothiophen-2-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide

3-(5-chlorothiophen-2-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 1287682) has the molecular formula C17H11ClN4OS2 and a molecular weight of 386.89 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
PubChem CID1287682
Molecular FormulaC17H11ClN4OS2
Molecular Weight386.89 g/mol
Exact Mass386.01
IUPAC Name3-(5-chlorothiophen-2-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)s1
InChIInChI=1S/C17H11ClN4OS2/c18-14-7-6-13(25-14)15-12(16(23)20-17-19-8-9-24-17)10-22(21-15)11-4-2-1-3-5-11/h1-10H,(H,19,20,23)
InChIKeyYEMTUEBGZZBBHI-UHFFFAOYSA-N
XLogP4.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.89
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(5-chlorothiophen-2-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-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-(5-chlorothiophen-2-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (CID 1287682) is 3-(5-chlorothiophen-2-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is O=C(Nc1nccs1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is YEMTUEBGZZBBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4OS2/c18-14-7-6-13(25-14)15-12(16(23)20-17-19-8-9-24-17)10-22(21-15)11-4-2-1-3-5-11/h1-10H,(H,19,20,23).
What are the key properties of 3-(5-chlorothiophen-2-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
3-(5-chlorothiophen-2-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 386.89 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 1287682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).