3-(2,5-dimethylthiophen-3-yl)-1H-pyrazole-5-carboxamide

C10H11N3OS — CID 78673871

IUPAC3-(2,5-dimethylthiophen-3-yl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(-c2cc(C(N)=O)[nH]n2)c(C)s1
InChIInChI=1S/C10H11N3OS/c1-5-3-7(6(2)15-5)8-4-9(10(11)14)13-12-8/h3-4H,1-2H3,(H2,11,14)(H,12,13)
InChIKeyKLVHCUPVBQYXJT-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.85
Rot. Bonds2

About 3-(2,5-dimethylthiophen-3-yl)-1H-pyrazole-5-carboxamide

3-(2,5-dimethylthiophen-3-yl)-1H-pyrazole-5-carboxamide (PubChem CID 78673871) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-(2,5-dimethylthiophen-3-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethylthiophen-3-yl)-1H-pyrazole-5-carboxamide
PubChem CID78673871
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name3-(2,5-dimethylthiophen-3-yl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(-c2cc(C(N)=O)[nH]n2)c(C)s1
InChIInChI=1S/C10H11N3OS/c1-5-3-7(6(2)15-5)8-4-9(10(11)14)13-12-8/h3-4H,1-2H3,(H2,11,14)(H,12,13)
InChIKeyKLVHCUPVBQYXJT-UHFFFAOYSA-N
XLogP1.85
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-thienylmethylene)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
CID 5720643
3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 44405988
3-tert-butyl-N'-[(3-methyl-2-thienyl)methylene]-1H-pyrazole-5-carbohydrazide
CID 5345393
5-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
CID 5402503
N'-[(E)-2-thienylmethylidene]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 5720647
3-methyl-N'-[(E)-thiophen-2-ylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6866198
N-[(E)-1-thiophen-2-ylethylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 5392060
N'-[(3-methyl-2-thienyl)methylene]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
CID 5400057
5-cyclopropyl-N'-[(1Z)-1-(thiophen-2-yl)ethylidene]-1H-pyrazole-3-carbohydrazide
CID 5421124
5-(propan-2-yl)-N'-[(1Z)-1-(thiophen-2-yl)ethylidene]-1H-pyrazole-3-carbohydrazide
CID 5782679
3-(5-methylthiophen-2-yl)-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]-1H-pyrazole-5-carbohydrazide
CID 6864525
N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-3-(thiophen-2-yl)-1H-pyrazole-5-carbohydrazide
CID 6866405

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylthiophen-3-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2,5-dimethylthiophen-3-yl)-1H-pyrazole-5-carboxamide (CID 78673871) is 3-(2,5-dimethylthiophen-3-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,5-dimethylthiophen-3-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,5-dimethylthiophen-3-yl)-1H-pyrazole-5-carboxamide is Cc1cc(-c2cc(C(N)=O)[nH]n2)c(C)s1.
What is the InChIKey of 3-(2,5-dimethylthiophen-3-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is KLVHCUPVBQYXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-5-3-7(6(2)15-5)8-4-9(10(11)14)13-12-8/h3-4H,1-2H3,(H2,11,14)(H,12,13).
What are the key properties of 3-(2,5-dimethylthiophen-3-yl)-1H-pyrazole-5-carboxamide?
3-(2,5-dimethylthiophen-3-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 221.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylthiophen-3-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 78673871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).