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

C12H15N3OS — CID 30183297

IUPACN-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-3-ylacetamide
SMILESCC(C)n1nccc1NC(=O)Cc1ccsc1
InChIInChI=1S/C12H15N3OS/c1-9(2)15-11(3-5-13-15)14-12(16)7-10-4-6-17-8-10/h3-6,8-9H,7H2,1-2H3,(H,14,16)
InChIKeyPZRVVBCBWAVKCX-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.71
Rot. Bonds4

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

N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-3-ylacetamide (PubChem CID 30183297) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-3-ylacetamide
PubChem CID30183297
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-3-ylacetamide
SMILESCC(C)n1nccc1NC(=O)Cc1ccsc1
InChIInChI=1S/C12H15N3OS/c1-9(2)15-11(3-5-13-15)14-12(16)7-10-4-6-17-8-10/h3-6,8-9H,7H2,1-2H3,(H,14,16)
InChIKeyPZRVVBCBWAVKCX-UHFFFAOYSA-N
XLogP2.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
CID 47110779
N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]thiophene-3-carboxamide
CID 30183849
2-(2-phenyl-1,3-thiazol-4-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30181961
2-(3,4-dichlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 47097280
2-[4-(difluoromethoxy)phenyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30183967
N-(2-propan-2-ylpyrazol-3-yl)-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide
CID 97308401
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-thiophen-3-ylacetamide
CID 18096280
N-(2-propan-2-ylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 30183310
4-amino-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 71668599
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 86977217
3-(4-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 30186728
N-(2-propan-2-ylpyrazol-3-yl)-4-thiophen-2-ylbutanamide
CID 47097276

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-3-ylacetamide (CID 30183297) is N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-3-ylacetamide is CC(C)n1nccc1NC(=O)Cc1ccsc1.
What is the InChIKey of N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-3-ylacetamide?
The InChIKey is PZRVVBCBWAVKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-9(2)15-11(3-5-13-15)14-12(16)7-10-4-6-17-8-10/h3-6,8-9H,7H2,1-2H3,(H,14,16).
What are the key properties of N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-3-ylacetamide?
N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-3-ylacetamide has a molecular weight of 249.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 30183297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).