4-[(5-methyl-1H-pyrazol-4-yl)methylamino]azepan-2-one

C11H18N4O — CID 63887122

IUPAC4-[(5-methyl-1H-pyrazol-4-yl)methylamino]azepan-2-one
SMILESCc1[nH]ncc1CNC1CCCNC(=O)C1
InChIInChI=1S/C11H18N4O/c1-8-9(7-14-15-8)6-13-10-3-2-4-12-11(16)5-10/h7,10,13H,2-6H2,1H3,(H,12,16)(H,14,15)
InChIKeyFGXJTKXXOUTQCI-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.48
Rot. Bonds3

About 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]azepan-2-one

4-[(5-methyl-1H-pyrazol-4-yl)methylamino]azepan-2-one (PubChem CID 63887122) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]azepan-2-one.

Molecular Properties

Compound Name4-[(5-methyl-1H-pyrazol-4-yl)methylamino]azepan-2-one
PubChem CID63887122
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-[(5-methyl-1H-pyrazol-4-yl)methylamino]azepan-2-one
SMILESCc1[nH]ncc1CNC1CCCNC(=O)C1
InChIInChI=1S/C11H18N4O/c1-8-9(7-14-15-8)6-13-10-3-2-4-12-11(16)5-10/h7,10,13H,2-6H2,1H3,(H,12,16)(H,14,15)
InChIKeyFGXJTKXXOUTQCI-UHFFFAOYSA-N
XLogP0.48
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]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

4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 104665443
4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cycloheptan-1-amine
CID 65079880
1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine
CID 61210854
4-[(6-methyl-2-pyridinyl)methylamino]azepan-2-one
CID 63887494
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 43663529
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62703899
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747484
1-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one
CID 64654324
4-[(2-methyl-3-nitrophenyl)methylamino]azepan-2-one
CID 103114777
tert-butyl N-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]carbamate
CID 103720141
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propan-2-ylazepan-4-amine
CID 65073424
2,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 61003066

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]azepan-2-one?
The IUPAC name of 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]azepan-2-one (CID 63887122) is 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]azepan-2-one.
What is the SMILES notation for 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]azepan-2-one?
The canonical SMILES for 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]azepan-2-one is Cc1[nH]ncc1CNC1CCCNC(=O)C1.
What is the InChIKey of 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]azepan-2-one?
The InChIKey is FGXJTKXXOUTQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-9(7-14-15-8)6-13-10-3-2-4-12-11(16)5-10/h7,10,13H,2-6H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]azepan-2-one?
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]azepan-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]azepan-2-one is sourced from PubChem (CID 63887122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).