5-methyl-1-(3-propan-2-yl-2-pyridinyl)pyrazolidin-3-one

C12H17N3O — CID 130323297

IUPAC5-methyl-1-(3-propan-2-yl-2-pyridinyl)pyrazolidin-3-one
SMILESCC(C)c1cccnc1N1NC(=O)CC1C
InChIInChI=1S/C12H17N3O/c1-8(2)10-5-4-6-13-12(10)15-9(3)7-11(16)14-15/h4-6,8-9H,7H2,1-3H3,(H,14,16)
InChIKeyDLIZAXWGTMWBQF-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.83
Rot. Bonds2

About 5-methyl-1-(3-propan-2-yl-2-pyridinyl)pyrazolidin-3-one

5-methyl-1-(3-propan-2-yl-2-pyridinyl)pyrazolidin-3-one (PubChem CID 130323297) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-methyl-1-(3-propan-2-yl-2-pyridinyl)pyrazolidin-3-one.

Molecular Properties

Compound Name5-methyl-1-(3-propan-2-yl-2-pyridinyl)pyrazolidin-3-one
PubChem CID130323297
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name5-methyl-1-(3-propan-2-yl-2-pyridinyl)pyrazolidin-3-one
SMILESCC(C)c1cccnc1N1NC(=O)CC1C
InChIInChI=1S/C12H17N3O/c1-8(2)10-5-4-6-13-12(10)15-9(3)7-11(16)14-15/h4-6,8-9H,7H2,1-3H3,(H,14,16)
InChIKeyDLIZAXWGTMWBQF-UHFFFAOYSA-N
XLogP1.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-4-phenyl-1-(pyridin-2-yl)-1h-pyrazol-5-ol
CID 13590499
N'1-[5-(trifluoromethyl)-2-pyridyl]-2-methylpropanohydrazide
CID 2727167
5-methyl-N-(3-methylphenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide
CID 25098140
5-methyl-N-(4-methylphenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide
CID 25098141
6-{2-[2-((S)-5-Cyano-pyrazolidin-1-yl)-2-oxo-ethylamino]-ethylamino}-nicotinonitrile
CID 44393931
3-phenyl-4-propyl-1-(pyridin-2-yl)-1H-pyrazol-5-ol
CID 51036475
3-Phenyl-1-pyridin-2-yl-1H-pyrazol-5-ol
CID 17609478
5-(2-phenylethyl)-2-pyridin-2-yl-1H-pyrazol-3-one
CID 51037216
US11370784, Example 49
CID 165112721
3-Phenyl-4-propyl-1-(pyridin-2-yl)-1H-pyrazol-5-ol hydrochloride
CID 60172240
5-cyclohexyl-2-pyridin-2-yl-1H-pyrazol-3-one
CID 156020840
4,5-dimethyl-2-pyridin-2-yl-1H-pyrazol-3-one
CID 24844318

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-propan-2-yl-2-pyridinyl)pyrazolidin-3-one?
The IUPAC name of 5-methyl-1-(3-propan-2-yl-2-pyridinyl)pyrazolidin-3-one (CID 130323297) is 5-methyl-1-(3-propan-2-yl-2-pyridinyl)pyrazolidin-3-one.
What is the SMILES notation for 5-methyl-1-(3-propan-2-yl-2-pyridinyl)pyrazolidin-3-one?
The canonical SMILES for 5-methyl-1-(3-propan-2-yl-2-pyridinyl)pyrazolidin-3-one is CC(C)c1cccnc1N1NC(=O)CC1C.
What is the InChIKey of 5-methyl-1-(3-propan-2-yl-2-pyridinyl)pyrazolidin-3-one?
The InChIKey is DLIZAXWGTMWBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8(2)10-5-4-6-13-12(10)15-9(3)7-11(16)14-15/h4-6,8-9H,7H2,1-3H3,(H,14,16).
What are the key properties of 5-methyl-1-(3-propan-2-yl-2-pyridinyl)pyrazolidin-3-one?
5-methyl-1-(3-propan-2-yl-2-pyridinyl)pyrazolidin-3-one has a molecular weight of 219.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-propan-2-yl-2-pyridinyl)pyrazolidin-3-one is sourced from PubChem (CID 130323297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).