N-(2-propylpyrazol-3-yl)thiophene-3-carboxamide

C11H13N3OS — CID 38995415

IUPACN-(2-propylpyrazol-3-yl)thiophene-3-carboxamide
SMILESCCCn1nccc1NC(=O)c1ccsc1
InChIInChI=1S/C11H13N3OS/c1-2-6-14-10(3-5-12-14)13-11(15)9-4-7-16-8-9/h3-5,7-8H,2,6H2,1H3,(H,13,15)
InChIKeyGESZJBNSUSAQDI-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.61
Rot. Bonds4

About N-(2-propylpyrazol-3-yl)thiophene-3-carboxamide

N-(2-propylpyrazol-3-yl)thiophene-3-carboxamide (PubChem CID 38995415) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-(2-propylpyrazol-3-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-propylpyrazol-3-yl)thiophene-3-carboxamide
PubChem CID38995415
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-(2-propylpyrazol-3-yl)thiophene-3-carboxamide
SMILESCCCn1nccc1NC(=O)c1ccsc1
InChIInChI=1S/C11H13N3OS/c1-2-6-14-10(3-5-12-14)13-11(15)9-4-7-16-8-9/h3-5,7-8H,2,6H2,1H3,(H,13,15)
InChIKeyGESZJBNSUSAQDI-UHFFFAOYSA-N
XLogP2.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-propylpyrazol-3-yl)thiophene-3-carboxamide?
The IUPAC name of N-(2-propylpyrazol-3-yl)thiophene-3-carboxamide (CID 38995415) is N-(2-propylpyrazol-3-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(2-propylpyrazol-3-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(2-propylpyrazol-3-yl)thiophene-3-carboxamide is CCCn1nccc1NC(=O)c1ccsc1.
What is the InChIKey of N-(2-propylpyrazol-3-yl)thiophene-3-carboxamide?
The InChIKey is GESZJBNSUSAQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-2-6-14-10(3-5-12-14)13-11(15)9-4-7-16-8-9/h3-5,7-8H,2,6H2,1H3,(H,13,15).
What are the key properties of N-(2-propylpyrazol-3-yl)thiophene-3-carboxamide?
N-(2-propylpyrazol-3-yl)thiophene-3-carboxamide has a molecular weight of 235.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylpyrazol-3-yl)thiophene-3-carboxamide is sourced from PubChem (CID 38995415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).