2,5-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-carboxamide

C13H17N3OS — CID 113233981

IUPAC2,5-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-carboxamide
SMILESCCCc1cc(NC(=O)c2cc(C)sc2C)n[nH]1
InChIInChI=1S/C13H17N3OS/c1-4-5-10-7-12(16-15-10)14-13(17)11-6-8(2)18-9(11)3/h6-7H,4-5H2,1-3H3,(H2,14,15,16,17)
InChIKeyLEMBJQAALDOREC-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.29
Rot. Bonds4

About 2,5-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-carboxamide

2,5-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-carboxamide (PubChem CID 113233981) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2,5-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-carboxamide
PubChem CID113233981
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2,5-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-carboxamide
SMILESCCCc1cc(NC(=O)c2cc(C)sc2C)n[nH]1
InChIInChI=1S/C13H17N3OS/c1-4-5-10-7-12(16-15-10)14-13(17)11-6-8(2)18-9(11)3/h6-7H,4-5H2,1-3H3,(H2,14,15,16,17)
InChIKeyLEMBJQAALDOREC-UHFFFAOYSA-N
XLogP3.29
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112702658
4-hydroxy-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 103865483
2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115778074
1,3-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-carboxamide
CID 113235417
4-chloro-6-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 103803878
2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233987
2-iodo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233988
4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115621244
5-methyl-N-(5-propyl-1H-pyrazol-3-yl)furan-3-carboxamide
CID 114821897
5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112690348
N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 115747889
2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115647444

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-carboxamide (CID 113233981) is 2,5-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-carboxamide is CCCc1cc(NC(=O)c2cc(C)sc2C)n[nH]1.
What is the InChIKey of 2,5-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-carboxamide?
The InChIKey is LEMBJQAALDOREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-4-5-10-7-12(16-15-10)14-13(17)11-6-8(2)18-9(11)3/h6-7H,4-5H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2,5-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-carboxamide?
2,5-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-carboxamide has a molecular weight of 263.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-carboxamide is sourced from PubChem (CID 113233981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).