5-methyl-N-(1-propylpyrazol-3-yl)thiophene-2-carboxamide

C12H15N3OS — CID 53017148

IUPAC5-methyl-N-(1-propylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCCCn1ccc(NC(=O)c2ccc(C)s2)n1
InChIInChI=1S/C12H15N3OS/c1-3-7-15-8-6-11(14-15)13-12(16)10-5-4-9(2)17-10/h4-6,8H,3,7H2,1-2H3,(H,13,14,16)
InChIKeyFUUAAWQZDYODAX-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.92
Rot. Bonds4

About 5-methyl-N-(1-propylpyrazol-3-yl)thiophene-2-carboxamide

5-methyl-N-(1-propylpyrazol-3-yl)thiophene-2-carboxamide (PubChem CID 53017148) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-methyl-N-(1-propylpyrazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1-propylpyrazol-3-yl)thiophene-2-carboxamide
PubChem CID53017148
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name5-methyl-N-(1-propylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCCCn1ccc(NC(=O)c2ccc(C)s2)n1
InChIInChI=1S/C12H15N3OS/c1-3-7-15-8-6-11(14-15)13-12(16)10-5-4-9(2)17-10/h4-6,8H,3,7H2,1-2H3,(H,13,14,16)
InChIKeyFUUAAWQZDYODAX-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-propylpyrazol-3-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 39341702
4-cyano-N-(1-propylpyrazol-3-yl)benzamide
CID 53017153
5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide
CID 30698931
1-(2,5-dimethylphenyl)-3-(1-propylpyrazol-3-yl)urea
CID 53017294
4,5-dibromo-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
CID 19284580
N-(6-chloropyridazin-3-yl)-5-methylthiophene-2-carboxamide
CID 115608643
N-[1-(2-hydroxyethyl)pyrazol-3-yl]acetamide
CID 141183209
N-[1-(2-methoxyethyl)pyrazol-3-yl]acetamide
CID 118519251
N-(4-ethylphenyl)-5-methylthiophene-2-carboxamide
CID 42992010
N-(5-chloropyrazin-2-yl)-5-methylthiophene-2-carboxamide
CID 104964172
N-(6-chloro-2-pyridinyl)-5-methylthiophene-2-carboxamide
CID 115669462
2-ethyl-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 47426149

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-propylpyrazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(1-propylpyrazol-3-yl)thiophene-2-carboxamide (CID 53017148) is 5-methyl-N-(1-propylpyrazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(1-propylpyrazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(1-propylpyrazol-3-yl)thiophene-2-carboxamide is CCCn1ccc(NC(=O)c2ccc(C)s2)n1.
What is the InChIKey of 5-methyl-N-(1-propylpyrazol-3-yl)thiophene-2-carboxamide?
The InChIKey is FUUAAWQZDYODAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-3-7-15-8-6-11(14-15)13-12(16)10-5-4-9(2)17-10/h4-6,8H,3,7H2,1-2H3,(H,13,14,16).
What are the key properties of 5-methyl-N-(1-propylpyrazol-3-yl)thiophene-2-carboxamide?
5-methyl-N-(1-propylpyrazol-3-yl)thiophene-2-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-propylpyrazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 53017148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).