N-(2-butan-2-ylpyrazol-3-yl)thiophene-3-carboxamide

C12H15N3OS — CID 134025810

IUPACN-(2-butan-2-ylpyrazol-3-yl)thiophene-3-carboxamide
SMILESCCC(C)n1nccc1NC(=O)c1ccsc1
InChIInChI=1S/C12H15N3OS/c1-3-9(2)15-11(4-6-13-15)14-12(16)10-5-7-17-8-10/h4-9H,3H2,1-2H3,(H,14,16)
InChIKeyHEIPEWIJEOXTPG-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.17
Rot. Bonds4

About N-(2-butan-2-ylpyrazol-3-yl)thiophene-3-carboxamide

N-(2-butan-2-ylpyrazol-3-yl)thiophene-3-carboxamide (PubChem CID 134025810) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(2-butan-2-ylpyrazol-3-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-butan-2-ylpyrazol-3-yl)thiophene-3-carboxamide
PubChem CID134025810
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-(2-butan-2-ylpyrazol-3-yl)thiophene-3-carboxamide
SMILESCCC(C)n1nccc1NC(=O)c1ccsc1
InChIInChI=1S/C12H15N3OS/c1-3-9(2)15-11(4-6-13-15)14-12(16)10-5-7-17-8-10/h4-9H,3H2,1-2H3,(H,14,16)
InChIKeyHEIPEWIJEOXTPG-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide
CID 56725907
N-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide
CID 134025818
N-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide
CID 78778639
N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]thiophene-3-carboxamide
CID 30183849
N-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide
CID 78778552
N-(2-butan-2-ylpyrazol-3-yl)-3,5-dichloro-4-methoxybenzamide
CID 134049613
2-butan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride
CID 115606209
N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide
CID 78793939
2-bromo-N-(2-butan-2-ylpyrazol-3-yl)benzamide
CID 78778624
N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide
CID 87023937
N-pyrazolo[1,5-a]pyrimidin-7-ylthiophene-3-carboxamide
CID 146121640
N-(2-butan-2-ylpyrazol-3-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 78778466

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)thiophene-3-carboxamide?
The IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)thiophene-3-carboxamide (CID 134025810) is N-(2-butan-2-ylpyrazol-3-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(2-butan-2-ylpyrazol-3-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(2-butan-2-ylpyrazol-3-yl)thiophene-3-carboxamide is CCC(C)n1nccc1NC(=O)c1ccsc1.
What is the InChIKey of N-(2-butan-2-ylpyrazol-3-yl)thiophene-3-carboxamide?
The InChIKey is HEIPEWIJEOXTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-3-9(2)15-11(4-6-13-15)14-12(16)10-5-7-17-8-10/h4-9H,3H2,1-2H3,(H,14,16).
What are the key properties of N-(2-butan-2-ylpyrazol-3-yl)thiophene-3-carboxamide?
N-(2-butan-2-ylpyrazol-3-yl)thiophene-3-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylpyrazol-3-yl)thiophene-3-carboxamide is sourced from PubChem (CID 134025810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).