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

C14H13N3OS — CID 118715045

IUPAC1-methyl-5-(2-methyl-1-benzothiophen-3-yl)pyrazole-3-carboxamide
SMILESCc1sc2ccccc2c1-c1cc(C(N)=O)nn1C
InChIInChI=1S/C14H13N3OS/c1-8-13(9-5-3-4-6-12(9)19-8)11-7-10(14(15)18)16-17(11)2/h3-7H,1-2H3,(H2,15,18)
InChIKeyZIDQRKYURLLNPQ-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.71
Rot. Bonds2

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

1-methyl-5-(2-methyl-1-benzothiophen-3-yl)pyrazole-3-carboxamide (PubChem CID 118715045) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-methyl-5-(2-methyl-1-benzothiophen-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-(2-methyl-1-benzothiophen-3-yl)pyrazole-3-carboxamide
PubChem CID118715045
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name1-methyl-5-(2-methyl-1-benzothiophen-3-yl)pyrazole-3-carboxamide
SMILESCc1sc2ccccc2c1-c1cc(C(N)=O)nn1C
InChIInChI=1S/C14H13N3OS/c1-8-13(9-5-3-4-6-12(9)19-8)11-7-10(14(15)18)16-17(11)2/h3-7H,1-2H3,(H2,15,18)
InChIKeyZIDQRKYURLLNPQ-UHFFFAOYSA-N
XLogP2.71
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-methyl-1-benzothiophen-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-5-(2-methyl-1-benzothiophen-3-yl)pyrazole-3-carboxamide (CID 118715045) is 1-methyl-5-(2-methyl-1-benzothiophen-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-5-(2-methyl-1-benzothiophen-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-5-(2-methyl-1-benzothiophen-3-yl)pyrazole-3-carboxamide is Cc1sc2ccccc2c1-c1cc(C(N)=O)nn1C.
What is the InChIKey of 1-methyl-5-(2-methyl-1-benzothiophen-3-yl)pyrazole-3-carboxamide?
The InChIKey is ZIDQRKYURLLNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-8-13(9-5-3-4-6-12(9)19-8)11-7-10(14(15)18)16-17(11)2/h3-7H,1-2H3,(H2,15,18).
What are the key properties of 1-methyl-5-(2-methyl-1-benzothiophen-3-yl)pyrazole-3-carboxamide?
1-methyl-5-(2-methyl-1-benzothiophen-3-yl)pyrazole-3-carboxamide has a molecular weight of 271.35 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methyl-1-benzothiophen-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 118715045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).