2-[(3-amino-1-methyl-5-oxopyrazolidin-4-yl)amino]-N-methylacetamide

C7H15N5O2 — CID 122643033

IUPAC2-[(3-amino-1-methyl-5-oxopyrazolidin-4-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNC1C(=O)N(C)NC1N
InChIInChI=1S/C7H15N5O2/c1-9-4(13)3-10-5-6(8)11-12(2)7(5)14/h5-6,10-11H,3,8H2,1-2H3,(H,9,13)
InChIKeyQUYRYNUDWVZJEF-UHFFFAOYSA-N
MW201.23 g/mol
LogP-3.05
Rot. Bonds3

About 2-[(3-amino-1-methyl-5-oxopyrazolidin-4-yl)amino]-N-methylacetamide

2-[(3-amino-1-methyl-5-oxopyrazolidin-4-yl)amino]-N-methylacetamide (PubChem CID 122643033) has the molecular formula C7H15N5O2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-[(3-amino-1-methyl-5-oxopyrazolidin-4-yl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-amino-1-methyl-5-oxopyrazolidin-4-yl)amino]-N-methylacetamide
PubChem CID122643033
Molecular FormulaC7H15N5O2
Molecular Weight201.23 g/mol
Exact Mass201.12
IUPAC Name2-[(3-amino-1-methyl-5-oxopyrazolidin-4-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNC1C(=O)N(C)NC1N
InChIInChI=1S/C7H15N5O2/c1-9-4(13)3-10-5-6(8)11-12(2)7(5)14/h5-6,10-11H,3,8H2,1-2H3,(H,9,13)
InChIKeyQUYRYNUDWVZJEF-UHFFFAOYSA-N
XLogP-3.05
TPSA99.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-3.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-difluoro-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide
CID 126993068
2-fluoro-2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide
CID 130909256
2-Oxoimidazolidine-4-carbohydrazide
CID 70566871
4-Amino-1-ethylpyrazolidin-3-one
CID 126735557
4,5-Diamino-1,2-dimethylpyrazolidin-3-one
CID 141118504
4-Amino-1,2-dimethyl-5-(methylamino)pyrazolidin-3-one
CID 141118506
4,5-Diamino-2-ethyl-1-methylpyrazolidin-3-one
CID 141118510
4,5-Diamino-1-ethyl-2-methylpyrazolidin-3-one
CID 141118511
5-amino-N-ethyl-N-propan-2-yltriazolidine-4-carboxamide
CID 155151403
(4R)-4-amino-2-methylpyrazolidin-3-one
CID 169148323
4-Amino-2-methylpyrazolidin-3-one
CID 169764200
1-Methyl-4-piperazin-1-ylpyrazolidine-3,5-dione
CID 82647062

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1-methyl-5-oxopyrazolidin-4-yl)amino]-N-methylacetamide?
The IUPAC name of 2-[(3-amino-1-methyl-5-oxopyrazolidin-4-yl)amino]-N-methylacetamide (CID 122643033) is 2-[(3-amino-1-methyl-5-oxopyrazolidin-4-yl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[(3-amino-1-methyl-5-oxopyrazolidin-4-yl)amino]-N-methylacetamide?
The canonical SMILES for 2-[(3-amino-1-methyl-5-oxopyrazolidin-4-yl)amino]-N-methylacetamide is CNC(=O)CNC1C(=O)N(C)NC1N.
What is the InChIKey of 2-[(3-amino-1-methyl-5-oxopyrazolidin-4-yl)amino]-N-methylacetamide?
The InChIKey is QUYRYNUDWVZJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O2/c1-9-4(13)3-10-5-6(8)11-12(2)7(5)14/h5-6,10-11H,3,8H2,1-2H3,(H,9,13).
What are the key properties of 2-[(3-amino-1-methyl-5-oxopyrazolidin-4-yl)amino]-N-methylacetamide?
2-[(3-amino-1-methyl-5-oxopyrazolidin-4-yl)amino]-N-methylacetamide has a molecular weight of 201.23 g/mol, XLogP of -3.05, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1-methyl-5-oxopyrazolidin-4-yl)amino]-N-methylacetamide is sourced from PubChem (CID 122643033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).