5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide

C11H13N3OS — CID 118715046

IUPAC5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide
SMILESCc1cc(-c2cc(C(N)=O)nn2C)c(C)s1
InChIInChI=1S/C11H13N3OS/c1-6-4-8(7(2)16-6)10-5-9(11(12)15)13-14(10)3/h4-5H,1-3H3,(H2,12,15)
InChIKeyOUWVCFHUARYSKF-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.86
Rot. Bonds2

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

5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 118715046) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide
PubChem CID118715046
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide
SMILESCc1cc(-c2cc(C(N)=O)nn2C)c(C)s1
InChIInChI=1S/C11H13N3OS/c1-6-4-8(7(2)16-6)10-5-9(11(12)15)13-14(10)3/h4-5H,1-3H3,(H2,12,15)
InChIKeyOUWVCFHUARYSKF-UHFFFAOYSA-N
XLogP1.86
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide (CID 118715046) is 5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide is Cc1cc(-c2cc(C(N)=O)nn2C)c(C)s1.
What is the InChIKey of 5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is OUWVCFHUARYSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-6-4-8(7(2)16-6)10-5-9(11(12)15)13-14(10)3/h4-5H,1-3H3,(H2,12,15).
What are the key properties of 5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide?
5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 235.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 118715046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).