2-(methylamino)-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide

C7H14N4O2 — CID 131026035

IUPAC2-(methylamino)-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide
SMILESCNCC(=O)NC1CN(C)NC1=O
InChIInChI=1S/C7H14N4O2/c1-8-3-6(12)9-5-4-11(2)10-7(5)13/h5,8H,3-4H2,1-2H3,(H,9,12)(H,10,13)
InChIKeyAIRFEHQZGLXPRM-UHFFFAOYSA-N
MW186.21 g/mol
LogP-2.33
Rot. Bonds3

About 2-(methylamino)-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide

2-(methylamino)-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide (PubChem CID 131026035) has the molecular formula C7H14N4O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(methylamino)-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide
PubChem CID131026035
Molecular FormulaC7H14N4O2
Molecular Weight186.21 g/mol
Exact Mass186.11
IUPAC Name2-(methylamino)-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide
SMILESCNCC(=O)NC1CN(C)NC1=O
InChIInChI=1S/C7H14N4O2/c1-8-3-6(12)9-5-4-11(2)10-7(5)13/h5,8H,3-4H2,1-2H3,(H,9,12)(H,10,13)
InChIKeyAIRFEHQZGLXPRM-UHFFFAOYSA-N
XLogP-2.33
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-2.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(1-methyl-3-oxopyrazolidin-4-yl)carbamate
CID 131091908
2,2-dimethyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide
CID 130979763
2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)thiophene-3-carboxamide
CID 128562638
4-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 155962141
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(methylamino)acetamide
CID 83632195
1-methyl-4-(oxetan-3-ylamino)pyrazolidin-3-one
CID 131165993
1-methyl-4-(3-methylbutan-2-ylamino)pyrazolidin-3-one
CID 130933775
2-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide
CID 119787596
1-methyl-4-[(1-methylpyrrolidin-3-yl)amino]pyrazolidin-3-one
CID 130892992
N-[5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-(methylamino)acetamide
CID 21341784
methyl 2-[3-[[2-(methylamino)acetyl]amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate;hydrochloride
CID 119818367
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide;dihydrochloride
CID 119900317

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide?
The IUPAC name of 2-(methylamino)-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide (CID 131026035) is 2-(methylamino)-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide.
What is the SMILES notation for 2-(methylamino)-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide?
The canonical SMILES for 2-(methylamino)-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide is CNCC(=O)NC1CN(C)NC1=O.
What is the InChIKey of 2-(methylamino)-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide?
The InChIKey is AIRFEHQZGLXPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c1-8-3-6(12)9-5-4-11(2)10-7(5)13/h5,8H,3-4H2,1-2H3,(H,9,12)(H,10,13).
What are the key properties of 2-(methylamino)-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide?
2-(methylamino)-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide has a molecular weight of 186.21 g/mol, XLogP of -2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide is sourced from PubChem (CID 131026035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).