1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one

C10H17N3O — CID 79078418

IUPAC1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
SMILESCc1cc(CC(=O)CN(C)C)n(C)n1
InChIInChI=1S/C10H17N3O/c1-8-5-9(13(4)11-8)6-10(14)7-12(2)3/h5H,6-7H2,1-4H3
InChIKeyHAPPLWKOBZBEFK-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.40
Rot. Bonds4

About 1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one

1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one (PubChem CID 79078418) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
PubChem CID79078418
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
SMILESCc1cc(CC(=O)CN(C)C)n(C)n1
InChIInChI=1S/C10H17N3O/c1-8-5-9(13(4)11-8)6-10(14)7-12(2)3/h5H,6-7H2,1-4H3
InChIKeyHAPPLWKOBZBEFK-UHFFFAOYSA-N
XLogP0.40
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-(2,5-dimethylpyrazol-3-yl)pentan-2-one
CID 66044438
2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
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1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 114979014
1-(2,5-dimethylpyrazol-3-yl)-3-naphthalen-1-ylpropan-2-one
CID 105108407
2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 110836652
1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-one
CID 103558858
1-(cyclohexen-1-yl)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 116659644
2-(2,5-dimethylpyrazol-3-yl)-N-propan-2-ylacetamide
CID 110847891
2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanone
CID 114978839
2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274086
2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105108355
N-(3,5-dimethylphenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 110857445

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one?
The IUPAC name of 1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one (CID 79078418) is 1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one.
What is the SMILES notation for 1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one?
The canonical SMILES for 1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one is Cc1cc(CC(=O)CN(C)C)n(C)n1.
What is the InChIKey of 1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one?
The InChIKey is HAPPLWKOBZBEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8-5-9(13(4)11-8)6-10(14)7-12(2)3/h5H,6-7H2,1-4H3.
What are the key properties of 1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one?
1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one has a molecular weight of 195.27 g/mol, XLogP of 0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one is sourced from PubChem (CID 79078418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).