3-(2-methyl-5-propan-2-ylthiophen-3-yl)-1H-pyrazole-5-carboxamide

C12H15N3OS — CID 118715040

IUPAC3-(2-methyl-5-propan-2-ylthiophen-3-yl)-1H-pyrazole-5-carboxamide
SMILESCc1sc(C(C)C)cc1-c1cc(C(N)=O)[nH]n1
InChIInChI=1S/C12H15N3OS/c1-6(2)11-4-8(7(3)17-11)9-5-10(12(13)16)15-14-9/h4-6H,1-3H3,(H2,13,16)(H,14,15)
InChIKeyHNFWQKIDSQPNQF-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.67
Rot. Bonds3

About 3-(2-methyl-5-propan-2-ylthiophen-3-yl)-1H-pyrazole-5-carboxamide

3-(2-methyl-5-propan-2-ylthiophen-3-yl)-1H-pyrazole-5-carboxamide (PubChem CID 118715040) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-(2-methyl-5-propan-2-ylthiophen-3-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methyl-5-propan-2-ylthiophen-3-yl)-1H-pyrazole-5-carboxamide
PubChem CID118715040
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name3-(2-methyl-5-propan-2-ylthiophen-3-yl)-1H-pyrazole-5-carboxamide
SMILESCc1sc(C(C)C)cc1-c1cc(C(N)=O)[nH]n1
InChIInChI=1S/C12H15N3OS/c1-6(2)11-4-8(7(3)17-11)9-5-10(12(13)16)15-14-9/h4-6H,1-3H3,(H2,13,16)(H,14,15)
InChIKeyHNFWQKIDSQPNQF-UHFFFAOYSA-N
XLogP2.67
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,5-Dimethyl-3-Thienyl)-1h-Pyrazole-3-Carboxamide
CID 78673871
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
N'-(2-thienylmethylene)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
CID 5720643
5-propan-2-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
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-methyl-5-propan-2-ylthiophen-3-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-methyl-5-propan-2-ylthiophen-3-yl)-1H-pyrazole-5-carboxamide (CID 118715040) is 3-(2-methyl-5-propan-2-ylthiophen-3-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-methyl-5-propan-2-ylthiophen-3-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-methyl-5-propan-2-ylthiophen-3-yl)-1H-pyrazole-5-carboxamide is Cc1sc(C(C)C)cc1-c1cc(C(N)=O)[nH]n1.
What is the InChIKey of 3-(2-methyl-5-propan-2-ylthiophen-3-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is HNFWQKIDSQPNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-6(2)11-4-8(7(3)17-11)9-5-10(12(13)16)15-14-9/h4-6H,1-3H3,(H2,13,16)(H,14,15).
What are the key properties of 3-(2-methyl-5-propan-2-ylthiophen-3-yl)-1H-pyrazole-5-carboxamide?
3-(2-methyl-5-propan-2-ylthiophen-3-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-5-propan-2-ylthiophen-3-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118715040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).