1-methyl-4-(3-methylbutan-2-ylamino)pyrazolidin-3-one

C9H19N3O — CID 130933775

IUPAC1-methyl-4-(3-methylbutan-2-ylamino)pyrazolidin-3-one
SMILESCC(C)C(C)NC1CN(C)NC1=O
InChIInChI=1S/C9H19N3O/c1-6(2)7(3)10-8-5-12(4)11-9(8)13/h6-8,10H,5H2,1-4H3,(H,11,13)
InChIKeyPGLQBSJYWHSFME-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.03
Rot. Bonds3

About 1-methyl-4-(3-methylbutan-2-ylamino)pyrazolidin-3-one

1-methyl-4-(3-methylbutan-2-ylamino)pyrazolidin-3-one (PubChem CID 130933775) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-methyl-4-(3-methylbutan-2-ylamino)pyrazolidin-3-one.

Molecular Properties

Compound Name1-methyl-4-(3-methylbutan-2-ylamino)pyrazolidin-3-one
PubChem CID130933775
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name1-methyl-4-(3-methylbutan-2-ylamino)pyrazolidin-3-one
SMILESCC(C)C(C)NC1CN(C)NC1=O
InChIInChI=1S/C9H19N3O/c1-6(2)7(3)10-8-5-12(4)11-9(8)13/h6-8,10H,5H2,1-4H3,(H,11,13)
InChIKeyPGLQBSJYWHSFME-UHFFFAOYSA-N
XLogP-0.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(oxetan-3-ylamino)pyrazolidin-3-one
CID 131165993
methyl N-(1-methyl-3-oxopyrazolidin-4-yl)carbamate
CID 131091908
2,2-dimethyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide
CID 130979763
1-methyl-4-[(1-methylpyrrolidin-3-yl)amino]pyrazolidin-3-one
CID 130892992
2-(methylamino)-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide
CID 131026035
4-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-1-methylpyrazolidin-3-one
CID 130921644
4-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 155962141
1-methyl-5-(3-methylbutan-2-ylamino)piperidin-2-one
CID 64655130
1-cyclopropyl-3-(3-methylbutan-2-ylamino)pyrrolidine-2,5-dione
CID 43636669
5-methyl-3-(3-methylbutan-2-ylamino)oxolan-2-one
CID 130635351
4-methyl-3-(3-methylbutan-2-ylamino)piperidin-2-one
CID 131176722
4-(3-methylbutan-2-ylamino)cyclohexan-1-one
CID 127000025

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methylbutan-2-ylamino)pyrazolidin-3-one?
The IUPAC name of 1-methyl-4-(3-methylbutan-2-ylamino)pyrazolidin-3-one (CID 130933775) is 1-methyl-4-(3-methylbutan-2-ylamino)pyrazolidin-3-one.
What is the SMILES notation for 1-methyl-4-(3-methylbutan-2-ylamino)pyrazolidin-3-one?
The canonical SMILES for 1-methyl-4-(3-methylbutan-2-ylamino)pyrazolidin-3-one is CC(C)C(C)NC1CN(C)NC1=O.
What is the InChIKey of 1-methyl-4-(3-methylbutan-2-ylamino)pyrazolidin-3-one?
The InChIKey is PGLQBSJYWHSFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-6(2)7(3)10-8-5-12(4)11-9(8)13/h6-8,10H,5H2,1-4H3,(H,11,13).
What are the key properties of 1-methyl-4-(3-methylbutan-2-ylamino)pyrazolidin-3-one?
1-methyl-4-(3-methylbutan-2-ylamino)pyrazolidin-3-one has a molecular weight of 185.27 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methylbutan-2-ylamino)pyrazolidin-3-one is sourced from PubChem (CID 130933775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).