5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide

C12H15N3OS — CID 1247202

IUPAC5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NCc2cnn(C)c2)s1
InChIInChI=1S/C12H15N3OS/c1-3-10-4-5-11(17-10)12(16)13-6-9-7-14-15(2)8-9/h4-5,7-8H,3,6H2,1-2H3,(H,13,16)
InChIKeyIMEUOMKMOTYOQB-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.97
Rot. Bonds4

About 5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide

5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 1247202) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
PubChem CID1247202
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NCc2cnn(C)c2)s1
InChIInChI=1S/C12H15N3OS/c1-3-10-4-5-11(17-10)12(16)13-6-9-7-14-15(2)8-9/h4-5,7-8H,3,6H2,1-2H3,(H,13,16)
InChIKeyIMEUOMKMOTYOQB-UHFFFAOYSA-N
XLogP1.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide (CID 1247202) is 5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide is CCc1ccc(C(=O)NCc2cnn(C)c2)s1.
What is the InChIKey of 5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is IMEUOMKMOTYOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-3-10-4-5-11(17-10)12(16)13-6-9-7-14-15(2)8-9/h4-5,7-8H,3,6H2,1-2H3,(H,13,16).
What are the key properties of 5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 1247202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).