1-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide

C20H16N4OS — CID 2311632

IUPAC1-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C20H16N4OS/c25-20(22-13-15-6-4-10-21-12-15)17-14-24(16-7-2-1-3-8-16)23-19(17)18-9-5-11-26-18/h1-12,14H,13H2,(H,22,25)
InChIKeyWCGGCAPGLNZRIM-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.93
Rot. Bonds5

About 1-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide

1-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 2311632) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID2311632
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC Name1-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C20H16N4OS/c25-20(22-13-15-6-4-10-21-12-15)17-14-24(16-7-2-1-3-8-16)23-19(17)18-9-5-11-26-18/h1-12,14H,13H2,(H,22,25)
InChIKeyWCGGCAPGLNZRIM-UHFFFAOYSA-N
XLogP3.93
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazole-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

Related Compounds

1-phenyl-N-(pyridin-3-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 2999058
N-[3-(methylthio)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 6622757
1-Phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde
CID 620226
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2329736
N-[3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]propyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 44222483
N-benzyl-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2529430
1-(2-Cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2529482
phenyl[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814851
3-methyl-1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyrazole-5-carboxamide
CID 663824
Morpholin-4-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 2140148
1H-Pyrazole-4-carboxamide, N-2-naphthalenyl-1-phenyl-3-(2-thienyl)-
CID 2308236
(4-Phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 2312348

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide (CID 2311632) is 1-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide is O=C(NCc1cccnc1)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of 1-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is WCGGCAPGLNZRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c25-20(22-13-15-6-4-10-21-12-15)17-14-24(16-7-2-1-3-8-16)23-19(17)18-9-5-11-26-18/h1-12,14H,13H2,(H,22,25).
What are the key properties of 1-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
1-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 2311632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).