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

C12H15N3OS — CID 47404938

IUPACN-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide
SMILESCC(C)c1cc(NC(=O)Cc2ccsc2)n[nH]1
InChIInChI=1S/C12H15N3OS/c1-8(2)10-6-11(15-14-10)13-12(16)5-9-3-4-17-7-9/h3-4,6-8H,5H2,1-2H3,(H2,13,14,15,16)
InChIKeyGJTYDEVVOSFXJJ-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.78
Rot. Bonds4

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

N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide (PubChem CID 47404938) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide
PubChem CID47404938
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide
SMILESCC(C)c1cc(NC(=O)Cc2ccsc2)n[nH]1
InChIInChI=1S/C12H15N3OS/c1-8(2)10-6-11(15-14-10)13-12(16)5-9-3-4-17-7-9/h3-4,6-8H,5H2,1-2H3,(H2,13,14,15,16)
InChIKeyGJTYDEVVOSFXJJ-UHFFFAOYSA-N
XLogP2.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-oxo-1H-pyridazin-3-yl)-2-thiophen-3-ylacetamide
CID 99792379
4-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104618390
5-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104617733
4,4,4-trifluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 113245549
3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104618403
1-benzyl-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea
CID 103720486
2-[(4-fluorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 115593063
2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 115976344
N-pyrazin-2-yl-2-thiophen-3-ylacetamide
CID 137320950
2,4,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)furan-3-carboxamide
CID 112689360
3,5,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)hexanamide
CID 112686564
2-[(4-chlorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 115593045

Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide (CID 47404938) is N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide is CC(C)c1cc(NC(=O)Cc2ccsc2)n[nH]1.
What is the InChIKey of N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide?
The InChIKey is GJTYDEVVOSFXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8(2)10-6-11(15-14-10)13-12(16)5-9-3-4-17-7-9/h3-4,6-8H,5H2,1-2H3,(H2,13,14,15,16).
What are the key properties of N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide?
N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide has a molecular weight of 249.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 47404938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).