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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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).