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

C13H11N3OS — CID 118715041

IUPAC3-(2-methyl-1-benzothiophen-3-yl)-1H-pyrazole-5-carboxamide
SMILESCc1sc2ccccc2c1-c1cc(C(N)=O)[nH]n1
InChIInChI=1S/C13H11N3OS/c1-7-12(8-4-2-3-5-11(8)18-7)9-6-10(13(14)17)16-15-9/h2-6H,1H3,(H2,14,17)(H,15,16)
InChIKeyXMUAVBWANVEZHQ-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.70
Rot. Bonds2

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

3-(2-methyl-1-benzothiophen-3-yl)-1H-pyrazole-5-carboxamide (PubChem CID 118715041) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 3-(2-methyl-1-benzothiophen-3-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methyl-1-benzothiophen-3-yl)-1H-pyrazole-5-carboxamide
PubChem CID118715041
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name3-(2-methyl-1-benzothiophen-3-yl)-1H-pyrazole-5-carboxamide
SMILESCc1sc2ccccc2c1-c1cc(C(N)=O)[nH]n1
InChIInChI=1S/C13H11N3OS/c1-7-12(8-4-2-3-5-11(8)18-7)9-6-10(13(14)17)16-15-9/h2-6H,1H3,(H2,14,17)(H,15,16)
InChIKeyXMUAVBWANVEZHQ-UHFFFAOYSA-N
XLogP2.70
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-naphthyl)-N'-(2-thienylmethylene)-1H-pyrazole-5-carbohydrazide
CID 5342869
5-(2,5-Dimethyl-3-Thienyl)-1h-Pyrazole-3-Carboxamide
CID 78673871
N'-[(E)-2-thienylmethylidene]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 5720647
(E)-3-(naphthalen-1-yl)-N'-(thiophen-2-ylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6862823
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
N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-3-(5-methylthiophen-2-yl)-1H-pyrazole-5-carbohydrazide
CID 6867567
3-(2-methyl-5-propan-2-ylthiophen-3-yl)-1H-pyrazole-5-carboxamide
CID 118715040
3-(2-methyl-5-phenylthiophen-3-yl)-1H-pyrazole-5-carboxamide
CID 118715042
3-(2-methylthiophen-3-yl)-1H-pyrazole-5-carboxamide
CID 118715044
1-Methyl-5-(2-methyl-1-benzothiophen-3-yl)pyrazole-3-carboxamide
CID 118715045
3-(1-benzothiophen-2-yl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738015

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1-benzothiophen-3-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-methyl-1-benzothiophen-3-yl)-1H-pyrazole-5-carboxamide (CID 118715041) is 3-(2-methyl-1-benzothiophen-3-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-methyl-1-benzothiophen-3-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-methyl-1-benzothiophen-3-yl)-1H-pyrazole-5-carboxamide is Cc1sc2ccccc2c1-c1cc(C(N)=O)[nH]n1.
What is the InChIKey of 3-(2-methyl-1-benzothiophen-3-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is XMUAVBWANVEZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-7-12(8-4-2-3-5-11(8)18-7)9-6-10(13(14)17)16-15-9/h2-6H,1H3,(H2,14,17)(H,15,16).
What are the key properties of 3-(2-methyl-1-benzothiophen-3-yl)-1H-pyrazole-5-carboxamide?
3-(2-methyl-1-benzothiophen-3-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 257.32 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1-benzothiophen-3-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118715041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).