3-[(1-methylpyrazol-4-yl)amino]azepan-2-one

C10H16N4O — CID 79770473

IUPAC3-[(1-methylpyrazol-4-yl)amino]azepan-2-one
SMILESCn1cc(NC2CCCCNC2=O)cn1
InChIInChI=1S/C10H16N4O/c1-14-7-8(6-12-14)13-9-4-2-3-5-11-10(9)15/h6-7,9,13H,2-5H2,1H3,(H,11,15)
InChIKeyOYIBMYQLRKZNEA-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.50
Rot. Bonds2

About 3-[(1-methylpyrazol-4-yl)amino]azepan-2-one

3-[(1-methylpyrazol-4-yl)amino]azepan-2-one (PubChem CID 79770473) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-4-yl)amino]azepan-2-one.

Molecular Properties

Compound Name3-[(1-methylpyrazol-4-yl)amino]azepan-2-one
PubChem CID79770473
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-[(1-methylpyrazol-4-yl)amino]azepan-2-one
SMILESCn1cc(NC2CCCCNC2=O)cn1
InChIInChI=1S/C10H16N4O/c1-14-7-8(6-12-14)13-9-4-2-3-5-11-10(9)15/h6-7,9,13H,2-5H2,1H3,(H,11,15)
InChIKeyOYIBMYQLRKZNEA-UHFFFAOYSA-N
XLogP0.50
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(1-methylpyrazol-4-yl)amino]azepan-2-one 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

3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]azepan-2-one
CID 121476454
3-(4-fluoroanilino)azepan-2-one
CID 42940986
3-(3,5-dichloroanilino)azepan-2-one
CID 43199170
N-cyclododecyl-1-methylpyrazol-4-amine
CID 43535013
(3S)-3-(pyrimidin-2-ylamino)azepan-2-one
CID 40506869
1-cycloheptyl-3-[(1-methylpyrazol-4-yl)amino]pyrrolidine-2,5-dione
CID 43637603
3-[(1,5-dimethylpyrazol-4-yl)methylamino]azepan-2-one
CID 79578454
(3R)-3-[(3,6-dimethylpyrazin-2-yl)amino]azepan-2-one
CID 26458748
1-methyl-N-(2-piperidin-2-ylcyclohexyl)pyrazol-4-amine
CID 79553269
1-[(3S)-2-oxoazepan-3-yl]-3-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 124888833
3-(2,2-dimethylhydrazinyl)azepan-2-one
CID 83014560
trans-(1S,2S)-2-[(1-methylpyrazol-4-yl)amino]cyclohexan-1-ol
CID 102731415

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-4-yl)amino]azepan-2-one?
The IUPAC name of 3-[(1-methylpyrazol-4-yl)amino]azepan-2-one (CID 79770473) is 3-[(1-methylpyrazol-4-yl)amino]azepan-2-one.
What is the SMILES notation for 3-[(1-methylpyrazol-4-yl)amino]azepan-2-one?
The canonical SMILES for 3-[(1-methylpyrazol-4-yl)amino]azepan-2-one is Cn1cc(NC2CCCCNC2=O)cn1.
What is the InChIKey of 3-[(1-methylpyrazol-4-yl)amino]azepan-2-one?
The InChIKey is OYIBMYQLRKZNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-14-7-8(6-12-14)13-9-4-2-3-5-11-10(9)15/h6-7,9,13H,2-5H2,1H3,(H,11,15).
What are the key properties of 3-[(1-methylpyrazol-4-yl)amino]azepan-2-one?
3-[(1-methylpyrazol-4-yl)amino]azepan-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-4-yl)amino]azepan-2-one is sourced from PubChem (CID 79770473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).