N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-ylacetamide

C13H17N3OS — CID 45284700

IUPACN-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-ylacetamide
SMILESCc1cc(NC(=O)Cc2cccs2)n(C(C)C)n1
InChIInChI=1S/C13H17N3OS/c1-9(2)16-12(7-10(3)15-16)14-13(17)8-11-5-4-6-18-11/h4-7,9H,8H2,1-3H3,(H,14,17)
InChIKeyNBYROTCIJFBLDJ-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.02
Rot. Bonds4

About N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-ylacetamide

N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-ylacetamide (PubChem CID 45284700) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-ylacetamide
PubChem CID45284700
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-ylacetamide
SMILESCc1cc(NC(=O)Cc2cccs2)n(C(C)C)n1
InChIInChI=1S/C13H17N3OS/c1-9(2)16-12(7-10(3)15-16)14-13(17)8-11-5-4-6-18-11/h4-7,9H,8H2,1-3H3,(H,14,17)
InChIKeyNBYROTCIJFBLDJ-UHFFFAOYSA-N
XLogP3.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-1-(2-thienylmethyl)-1H-pyrazol-5-amine
CID 3154161
N-(2-(tert-butyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-(thiophen-2-yl)acetamide
CID 3677366
N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 42733092
N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)-2-thiophenecarboxamide
CID 2814958
5-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboxamide
CID 2123569
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 2395532
2-[5-amino-3-(2-thienyl)-1H-pyrazol-1-yl]-5,6-dimethylpyrimidin-4(3H)-one
CID 135876321
3-[2-(dimethylamino)ethyldisulfanyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide
CID 73443125
Pyrazolo(1,5-a)pyrimidin-7(4H)-one, 4-ethyl-2-(2-thienyl)-
CID 3073476
N-(2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide
CID 30859087
N-(2,5-dimethylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
CID 45811643
1-(2,5-Dimethylpyrazol-3-yl)-3-(2-thiophen-2-ylethyl)urea
CID 47198496

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-ylacetamide (CID 45284700) is N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-ylacetamide is Cc1cc(NC(=O)Cc2cccs2)n(C(C)C)n1.
What is the InChIKey of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-ylacetamide?
The InChIKey is NBYROTCIJFBLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9(2)16-12(7-10(3)15-16)14-13(17)8-11-5-4-6-18-11/h4-7,9H,8H2,1-3H3,(H,14,17).
What are the key properties of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-ylacetamide?
N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-ylacetamide has a molecular weight of 263.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 45284700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).