1-amino-3-(2,5-dimethylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one

C12H15N3OS — CID 116601573

IUPAC1-amino-3-(2,5-dimethylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one
SMILESCc1cc(CC(=O)C(N)c2cccs2)n(C)n1
InChIInChI=1S/C12H15N3OS/c1-8-6-9(15(2)14-8)7-10(16)12(13)11-4-3-5-17-11/h3-6,12H,7,13H2,1-2H3
InChIKeyDYJBCWBBFVMDMI-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.60
Rot. Bonds4

About 1-amino-3-(2,5-dimethylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one

1-amino-3-(2,5-dimethylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one (PubChem CID 116601573) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-amino-3-(2,5-dimethylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one.

Molecular Properties

Compound Name1-amino-3-(2,5-dimethylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one
PubChem CID116601573
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name1-amino-3-(2,5-dimethylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one
SMILESCc1cc(CC(=O)C(N)c2cccs2)n(C)n1
InChIInChI=1S/C12H15N3OS/c1-8-6-9(15(2)14-8)7-10(16)12(13)11-4-3-5-17-11/h3-6,12H,7,13H2,1-2H3
InChIKeyDYJBCWBBFVMDMI-UHFFFAOYSA-N
XLogP1.60
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-3-(2-methyl-1,2,4-triazol-3-yl)-1-thiophen-2-ylpropan-2-one
CID 116601651
1-amino-3-(1-methylindazol-3-yl)-1-thiophen-2-ylpropan-2-one
CID 116601574
2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanone
CID 114978839
(1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81408199
1-(2,5-dimethylpyrazol-3-yl)-3-naphthalen-1-ylpropan-2-one
CID 105108407
1-(2,5-dimethylpyrazol-3-yl)-3-ethoxypentan-2-one
CID 116707502
N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-carboxamide
CID 97247908
(2S)-2-amino-3-(2,5-dimethylpyrazol-3-yl)propanamide
CID 141403090
1-amino-5,5-dimethyl-1-thiophen-2-ylhexan-2-one
CID 116601453
1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 79078418
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-thiophen-2-ylethanamine
CID 62409749
2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
CID 167145716

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,5-dimethylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one?
The IUPAC name of 1-amino-3-(2,5-dimethylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one (CID 116601573) is 1-amino-3-(2,5-dimethylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one.
What is the SMILES notation for 1-amino-3-(2,5-dimethylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one?
The canonical SMILES for 1-amino-3-(2,5-dimethylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one is Cc1cc(CC(=O)C(N)c2cccs2)n(C)n1.
What is the InChIKey of 1-amino-3-(2,5-dimethylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one?
The InChIKey is DYJBCWBBFVMDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-6-9(15(2)14-8)7-10(16)12(13)11-4-3-5-17-11/h3-6,12H,7,13H2,1-2H3.
What are the key properties of 1-amino-3-(2,5-dimethylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one?
1-amino-3-(2,5-dimethylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one has a molecular weight of 249.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,5-dimethylpyrazol-3-yl)-1-thiophen-2-ylpropan-2-one is sourced from PubChem (CID 116601573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).