N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide

C12H15N3OS — CID 47343840

IUPACN-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide
SMILESCCCCC(=O)Nc1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C12H15N3OS/c1-2-3-6-12(16)13-11-8-9(14-15-11)10-5-4-7-17-10/h4-5,7-8H,2-3,6H2,1H3,(H2,13,14,15,16)
InChIKeyUFALUZCPMNDFNE-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.27
Rot. Bonds5

About N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide

N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide (PubChem CID 47343840) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide.

Molecular Properties

Compound NameN-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide
PubChem CID47343840
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide
SMILESCCCCC(=O)Nc1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C12H15N3OS/c1-2-3-6-12(16)13-11-8-9(14-15-11)10-5-4-7-17-10/h4-5,7-8H,2-3,6H2,1H3,(H2,13,14,15,16)
InChIKeyUFALUZCPMNDFNE-UHFFFAOYSA-N
XLogP3.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide?
The IUPAC name of N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide (CID 47343840) is N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide.
What is the SMILES notation for N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide?
The canonical SMILES for N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide is CCCCC(=O)Nc1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide?
The InChIKey is UFALUZCPMNDFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-2-3-6-12(16)13-11-8-9(14-15-11)10-5-4-7-17-10/h4-5,7-8H,2-3,6H2,1H3,(H2,13,14,15,16).
What are the key properties of N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide?
N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide has a molecular weight of 249.34 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide is sourced from PubChem (CID 47343840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).