2-(3-hydroxypropyl)-1-methyl-5-propan-2-ylpyrazolidin-3-one

C10H20N2O2 — CID 105452958

IUPAC2-(3-hydroxypropyl)-1-methyl-5-propan-2-ylpyrazolidin-3-one
SMILESCC(C)C1CC(=O)N(CCCO)N1C
InChIInChI=1S/C10H20N2O2/c1-8(2)9-7-10(14)12(11(9)3)5-4-6-13/h8-9,13H,4-7H2,1-3H3
InChIKeyAVDQGBKYUSZSMR-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.47
Rot. Bonds4

About 2-(3-hydroxypropyl)-1-methyl-5-propan-2-ylpyrazolidin-3-one

2-(3-hydroxypropyl)-1-methyl-5-propan-2-ylpyrazolidin-3-one (PubChem CID 105452958) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-1-methyl-5-propan-2-ylpyrazolidin-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-1-methyl-5-propan-2-ylpyrazolidin-3-one
PubChem CID105452958
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-(3-hydroxypropyl)-1-methyl-5-propan-2-ylpyrazolidin-3-one
SMILESCC(C)C1CC(=O)N(CCCO)N1C
InChIInChI=1S/C10H20N2O2/c1-8(2)9-7-10(14)12(11(9)3)5-4-6-13/h8-9,13H,4-7H2,1-3H3
InChIKeyAVDQGBKYUSZSMR-UHFFFAOYSA-N
XLogP0.47
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-(3-hydroxypropyl)-1-methylpyrazolidin-3-one
CID 105442159
2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one
CID 105430948
1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
CID 115773389
2-(3-hydroxypropyl)-5-methyl-1-phenylpyrazolidin-3-one
CID 105494695
1-(2-hydroxyethyl)-7-propan-2-ylazepan-2-one
CID 10679504
5-(3-hydroxypropyl)-4-methyl-4,5-diazaspiro[2.4]heptan-6-one
CID 105441177
1-(3-hydroxypropyl)-2-propan-2-ylpyrazolidin-3-one
CID 105442196
1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one
CID 105467991
1-(6-hydroxyhexyl)-4-sulfanylpyrrolidin-2-one
CID 168709296
4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 168504911
4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 168508234
1-(2-hydroxyethyl)-4-methylazetidin-2-one
CID 11182619

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-1-methyl-5-propan-2-ylpyrazolidin-3-one?
The IUPAC name of 2-(3-hydroxypropyl)-1-methyl-5-propan-2-ylpyrazolidin-3-one (CID 105452958) is 2-(3-hydroxypropyl)-1-methyl-5-propan-2-ylpyrazolidin-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-1-methyl-5-propan-2-ylpyrazolidin-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)-1-methyl-5-propan-2-ylpyrazolidin-3-one is CC(C)C1CC(=O)N(CCCO)N1C.
What is the InChIKey of 2-(3-hydroxypropyl)-1-methyl-5-propan-2-ylpyrazolidin-3-one?
The InChIKey is AVDQGBKYUSZSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(2)9-7-10(14)12(11(9)3)5-4-6-13/h8-9,13H,4-7H2,1-3H3.
What are the key properties of 2-(3-hydroxypropyl)-1-methyl-5-propan-2-ylpyrazolidin-3-one?
2-(3-hydroxypropyl)-1-methyl-5-propan-2-ylpyrazolidin-3-one has a molecular weight of 200.28 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-1-methyl-5-propan-2-ylpyrazolidin-3-one is sourced from PubChem (CID 105452958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).