1-(4-chlorophenyl)-5-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide

C16H11ClN6OS — CID 51052511

IUPAC1-(4-chlorophenyl)-5-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1nncs1)c1cnn(-c2ccc(Cl)cc2)c1-n1cccc1
InChIInChI=1S/C16H11ClN6OS/c17-11-3-5-12(6-4-11)23-15(22-7-1-2-8-22)13(9-19-23)14(24)20-16-21-18-10-25-16/h1-10H,(H,20,21,24)
InChIKeyHDOMAOCADWRBJC-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.42
Rot. Bonds4

About 1-(4-chlorophenyl)-5-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-5-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 51052511) has the molecular formula C16H11ClN6OS and a molecular weight of 370.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
PubChem CID51052511
Molecular FormulaC16H11ClN6OS
Molecular Weight370.83 g/mol
Exact Mass370.04
IUPAC Name1-(4-chlorophenyl)-5-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1nncs1)c1cnn(-c2ccc(Cl)cc2)c1-n1cccc1
InChIInChI=1S/C16H11ClN6OS/c17-11-3-5-12(6-4-11)23-15(22-7-1-2-8-22)13(9-19-23)14(24)20-16-21-18-10-25-16/h1-10H,(H,20,21,24)
InChIKeyHDOMAOCADWRBJC-UHFFFAOYSA-N
XLogP3.42
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4-chlorophenyl)-5-pyrrol-1-yl-N-(1,3,4-thiadiazol-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 1-(4-chlorophenyl)-5-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide (CID 51052511) is 1-(4-chlorophenyl)-5-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide is O=C(Nc1nncs1)c1cnn(-c2ccc(Cl)cc2)c1-n1cccc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is HDOMAOCADWRBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN6OS/c17-11-3-5-12(6-4-11)23-15(22-7-1-2-8-22)13(9-19-23)14(24)20-16-21-18-10-25-16/h1-10H,(H,20,21,24).
What are the key properties of 1-(4-chlorophenyl)-5-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-5-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 370.83 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 51052511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).