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

C12H16N4OS — CID 104618474

IUPAC2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
SMILESCC(C)c1cc(NC(=O)C(N)c2cccs2)n[nH]1
InChIInChI=1S/C12H16N4OS/c1-7(2)8-6-10(16-15-8)14-12(17)11(13)9-4-3-5-18-9/h3-7,11H,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyGLLKMFJYDQYANQ-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.23
Rot. Bonds4

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

2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide (PubChem CID 104618474) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
PubChem CID104618474
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
SMILESCC(C)c1cc(NC(=O)C(N)c2cccs2)n[nH]1
InChIInChI=1S/C12H16N4OS/c1-7(2)8-6-10(16-15-8)14-12(17)11(13)9-4-3-5-18-9/h3-7,11H,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyGLLKMFJYDQYANQ-UHFFFAOYSA-N
XLogP2.23
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 115976344
2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 115976338
3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 104618436
2-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 112639598
4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 104618326
2-amino-N-(6-chloro-5-methyl-3-pyridinyl)-2-thiophen-2-ylacetamide
CID 114049418
N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404990
2-amino-2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)acetamide
CID 115285827
2-amino-N-phenyl-2-thiophen-2-ylacetamide
CID 115285801
2-amino-N-(4-fluorophenyl)-2-thiophen-2-ylacetamide
CID 115285922
3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104618403
N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide
CID 47404938

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide (CID 104618474) is 2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide is CC(C)c1cc(NC(=O)C(N)c2cccs2)n[nH]1.
What is the InChIKey of 2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide?
The InChIKey is GLLKMFJYDQYANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-7(2)8-6-10(16-15-8)14-12(17)11(13)9-4-3-5-18-9/h3-7,11H,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide?
2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide has a molecular weight of 264.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 104618474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).