5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide

C13H11N3OS2 — CID 71824121

IUPAC5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1cccs1)c1cn[nH]c1-c1cccs1
InChIInChI=1S/C13H11N3OS2/c17-13(14-7-9-3-1-5-18-9)10-8-15-16-12(10)11-4-2-6-19-11/h1-6,8H,7H2,(H,14,17)(H,15,16)
InChIKeyZNDTVEQIXKXRMD-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.13
Rot. Bonds4

About 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide

5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 71824121) has the molecular formula C13H11N3OS2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID71824121
Molecular FormulaC13H11N3OS2
Molecular Weight289.38 g/mol
Exact Mass289.03
IUPAC Name5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1cccs1)c1cn[nH]c1-c1cccs1
InChIInChI=1S/C13H11N3OS2/c17-13(14-7-9-3-1-5-18-9)10-8-15-16-12(10)11-4-2-6-19-11/h1-6,8H,7H2,(H,14,17)(H,15,16)
InChIKeyZNDTVEQIXKXRMD-UHFFFAOYSA-N
XLogP3.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 71824128
N-(2-methylpropyl)-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 71824157
5-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 71824185
N-butyl-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 71824151
N-[(3,4-dimethoxyphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 71824137
N-cyclopentyl-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 71824156
3-[(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)amino]benzoic acid
CID 142738671
5-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-pyrazole
CID 141117900
3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 115645421
N-[(Z)-(2-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 6261074
2-amino-5-chloro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 114922128
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide (CID 71824121) is 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide is O=C(NCc1cccs1)c1cn[nH]c1-c1cccs1.
What is the InChIKey of 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is ZNDTVEQIXKXRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS2/c17-13(14-7-9-3-1-5-18-9)10-8-15-16-12(10)11-4-2-6-19-11/h1-6,8H,7H2,(H,14,17)(H,15,16).
What are the key properties of 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide?
5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71824121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).