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

C13H17N3OS — CID 104619985

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2cccs2)n[nH]1
InChIInChI=1S/C13H17N3OS/c1-13(2,3)10-8-11(16-15-10)14-12(17)7-9-5-4-6-18-9/h4-6,8H,7H2,1-3H3,(H2,14,15,16,17)
InChIKeyYKPVWOUDXYYWCR-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.95
Rot. Bonds3

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

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide (PubChem CID 104619985) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
PubChem CID104619985
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2cccs2)n[nH]1
InChIInChI=1S/C13H17N3OS/c1-13(2,3)10-8-11(16-15-10)14-12(17)7-9-5-4-6-18-9/h4-6,8H,7H2,1-3H3,(H2,14,15,16,17)
InChIKeyYKPVWOUDXYYWCR-UHFFFAOYSA-N
XLogP2.95
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-ethyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
CID 104619581
2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 104618499
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-hydroxyphenyl)acetamide
CID 115603580
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433629
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47067672
N-[1-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 47067682
2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 112686897
2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide
CID 104618583
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide
CID 115589865
N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-2-thiophen-2-ylacetamide
CID 53196056
N-(4-methoxy-2-pyridinyl)-2-thiophen-2-ylacetamide
CID 75435246
N-[4-[2-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 47067702

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide (CID 104619985) is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide is CC(C)(C)c1cc(NC(=O)Cc2cccs2)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide?
The InChIKey is YKPVWOUDXYYWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-13(2,3)10-8-11(16-15-10)14-12(17)7-9-5-4-6-18-9/h4-6,8H,7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide has a molecular weight of 263.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 104619985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).