4-(2-aminoethyl)-2-cycloheptyl-5-methyl-4H-pyrazol-3-one

C13H23N3O — CID 63971450

IUPAC4-(2-aminoethyl)-2-cycloheptyl-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(C2CCCCCC2)C(=O)C1CCN
InChIInChI=1S/C13H23N3O/c1-10-12(8-9-14)13(17)16(15-10)11-6-4-2-3-5-7-11/h11-12H,2-9,14H2,1H3
InChIKeyYOCZLLJRAVRCIW-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.89
Rot. Bonds3

About 4-(2-aminoethyl)-2-cycloheptyl-5-methyl-4H-pyrazol-3-one

4-(2-aminoethyl)-2-cycloheptyl-5-methyl-4H-pyrazol-3-one (PubChem CID 63971450) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-cycloheptyl-5-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-cycloheptyl-5-methyl-4H-pyrazol-3-one
PubChem CID63971450
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-(2-aminoethyl)-2-cycloheptyl-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(C2CCCCCC2)C(=O)C1CCN
InChIInChI=1S/C13H23N3O/c1-10-12(8-9-14)13(17)16(15-10)11-6-4-2-3-5-7-11/h11-12H,2-9,14H2,1H3
InChIKeyYOCZLLJRAVRCIW-UHFFFAOYSA-N
XLogP1.89
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-aminoethyl)-2-cycloheptyl-5-methyl-4H-pyrazol-3-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-(3-aminopropyl)-2-cyclohexyl-5-methyl-4H-pyrazol-3-one
CID 63972052
2-(1-cycloheptyl-3-methyl-5-oxo-4H-pyrazol-4-yl)acetic acid
CID 61272408
2-cycloheptyl-5-methyl-4-propan-2-yl-4H-pyrazol-3-one
CID 62913663
4-(2-aminoethyl)-5-methyl-2-pyrimidin-2-yl-4H-pyrazol-3-one
CID 63973200
2-cyclohexyl-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one
CID 11853010
4-(2-aminoethyl)-5-methyl-2-(2-methylpropyl)-4H-pyrazol-3-one
CID 63973008
4-(2-aminoethyl)-5-tert-butyl-2-(1,1-dioxothiolan-3-yl)-4H-pyrazol-3-one
CID 63973204
4-(2-aminoethyl)-2-(2-hydroxycyclohexyl)-5-propyl-4H-pyrazol-3-one
CID 63971066
2-cyclohexyl-4-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one
CID 55229930
4-(3-aminopropyl)-2-(2-fluorophenyl)-5-methyl-4H-pyrazol-3-one
CID 63972425
4-(3-aminopropyl)-5-methyl-2-(3-methylbutyl)-4H-pyrazol-3-one
CID 63972248
4-(3-aminopropyl)-5-methyl-2-[(3-methylphenyl)methyl]-4H-pyrazol-3-one
CID 63971852

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-cycloheptyl-5-methyl-4H-pyrazol-3-one?
The IUPAC name of 4-(2-aminoethyl)-2-cycloheptyl-5-methyl-4H-pyrazol-3-one (CID 63971450) is 4-(2-aminoethyl)-2-cycloheptyl-5-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 4-(2-aminoethyl)-2-cycloheptyl-5-methyl-4H-pyrazol-3-one?
The canonical SMILES for 4-(2-aminoethyl)-2-cycloheptyl-5-methyl-4H-pyrazol-3-one is CC1=NN(C2CCCCCC2)C(=O)C1CCN.
What is the InChIKey of 4-(2-aminoethyl)-2-cycloheptyl-5-methyl-4H-pyrazol-3-one?
The InChIKey is YOCZLLJRAVRCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-12(8-9-14)13(17)16(15-10)11-6-4-2-3-5-7-11/h11-12H,2-9,14H2,1H3.
What are the key properties of 4-(2-aminoethyl)-2-cycloheptyl-5-methyl-4H-pyrazol-3-one?
4-(2-aminoethyl)-2-cycloheptyl-5-methyl-4H-pyrazol-3-one has a molecular weight of 237.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-cycloheptyl-5-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 63971450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).