2-fluoro-2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide

C8H14FN3O2 — CID 130909256

IUPAC2-fluoro-2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide
SMILESCN1CC(NC(=O)C(C)(C)F)C(=O)N1
InChIInChI=1S/C8H14FN3O2/c1-8(2,9)7(14)10-5-4-12(3)11-6(5)13/h5H,4H2,1-3H3,(H,10,14)(H,11,13)
InChIKeyWLSQGBMYESLWEE-UHFFFAOYSA-N
MW203.22 g/mol
LogP-0.80
Rot. Bonds2

About 2-fluoro-2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide

2-fluoro-2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide (PubChem CID 130909256) has the molecular formula C8H14FN3O2 and a molecular weight of 203.22 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide.

Molecular Properties

Compound Name2-fluoro-2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide
PubChem CID130909256
Molecular FormulaC8H14FN3O2
Molecular Weight203.22 g/mol
Exact Mass203.11
IUPAC Name2-fluoro-2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide
SMILESCN1CC(NC(=O)C(C)(C)F)C(=O)N1
InChIInChI=1S/C8H14FN3O2/c1-8(2,9)7(14)10-5-4-12(3)11-6(5)13/h5H,4H2,1-3H3,(H,10,14)(H,11,13)
InChIKeyWLSQGBMYESLWEE-UHFFFAOYSA-N
XLogP-0.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-pyrrolidin-1-yl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 91220215
2,2-difluoro-N-(1-methyl-3-oxopyrazolidin-4-yl)acetamide
CID 126993068
2-(5-methyl-3-oxopyrazolidin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 24248793
1-(Methylamino)-3-(propan-2-ylamino)pyrrolidine-2,5-dione
CID 59042133
(2R)-2-[3-(aminomethyl)-5-oxopyrazolidin-1-yl]butanamide
CID 59400550
2-[3-(Aminomethyl)-5-oxopyrazolidin-1-yl]butanamide
CID 72273972
(2S)-2-[3-(aminomethyl)-5-oxopyrazolidin-1-yl]butanamide
CID 90455250
2-[(3-amino-1-methyl-5-oxopyrazolidin-4-yl)amino]-N-methylacetamide
CID 122643033
N'-acetyl-N'-pyrrolidin-3-ylacetohydrazide
CID 13401986
2-[(5R)-5-methyl-3-oxopyrazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 52457221
2-[(5S)-5-methyl-3-oxopyrazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 52457222
1-[2-(Dipropylamino)acetyl]-5-methylpyrazolidin-3-one
CID 57357741

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide?
The IUPAC name of 2-fluoro-2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide (CID 130909256) is 2-fluoro-2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide.
What is the SMILES notation for 2-fluoro-2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide?
The canonical SMILES for 2-fluoro-2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide is CN1CC(NC(=O)C(C)(C)F)C(=O)N1.
What is the InChIKey of 2-fluoro-2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide?
The InChIKey is WLSQGBMYESLWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3O2/c1-8(2,9)7(14)10-5-4-12(3)11-6(5)13/h5H,4H2,1-3H3,(H,10,14)(H,11,13).
What are the key properties of 2-fluoro-2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide?
2-fluoro-2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide has a molecular weight of 203.22 g/mol, XLogP of -0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)propanamide is sourced from PubChem (CID 130909256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).