N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]thiophene-2-carboxamide

C12H13N3O2S — CID 658972

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1cc(C)n(C(=O)CNC(=O)c2cccs2)n1
InChIInChI=1S/C12H13N3O2S/c1-8-6-9(2)15(14-8)11(16)7-13-12(17)10-4-3-5-18-10/h3-6H,7H2,1-2H3,(H,13,17)
InChIKeyGMLQYFJSTASFAF-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.63
Rot. Bonds3

About N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 658972) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID658972
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1cc(C)n(C(=O)CNC(=O)c2cccs2)n1
InChIInChI=1S/C12H13N3O2S/c1-8-6-9(2)15(14-8)11(16)7-13-12(17)10-4-3-5-18-10/h3-6H,7H2,1-2H3,(H,13,17)
InChIKeyGMLQYFJSTASFAF-UHFFFAOYSA-N
XLogP1.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]thiophene-2-carboxamide (CID 658972) is N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]thiophene-2-carboxamide is Cc1cc(C)n(C(=O)CNC(=O)c2cccs2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is GMLQYFJSTASFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8-6-9(2)15(14-8)11(16)7-13-12(17)10-4-3-5-18-10/h3-6H,7H2,1-2H3,(H,13,17).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 658972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).