1-(1,5-diethylazepan-3-yl)pyrazol-4-amine

C13H24N4 — CID 139421017

IUPAC1-(1,5-diethylazepan-3-yl)pyrazol-4-amine
SMILESCCC1CCN(CC)CC(n2cc(N)cn2)C1
InChIInChI=1S/C13H24N4/c1-3-11-5-6-16(4-2)10-13(7-11)17-9-12(14)8-15-17/h8-9,11,13H,3-7,10,14H2,1-2H3
InChIKeyMZZMOHSNCUZOEZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.15
Rot. Bonds3

About 1-(1,5-diethylazepan-3-yl)pyrazol-4-amine

1-(1,5-diethylazepan-3-yl)pyrazol-4-amine (PubChem CID 139421017) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(1,5-diethylazepan-3-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(1,5-diethylazepan-3-yl)pyrazol-4-amine
PubChem CID139421017
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-(1,5-diethylazepan-3-yl)pyrazol-4-amine
SMILESCCC1CCN(CC)CC(n2cc(N)cn2)C1
InChIInChI=1S/C13H24N4/c1-3-11-5-6-16(4-2)10-13(7-11)17-9-12(14)8-15-17/h8-9,11,13H,3-7,10,14H2,1-2H3
InChIKeyMZZMOHSNCUZOEZ-UHFFFAOYSA-N
XLogP2.15
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,5-diethylazepan-3-yl)pyrazol-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-diethylazepan-3-yl)pyrazol-4-amine?
The IUPAC name of 1-(1,5-diethylazepan-3-yl)pyrazol-4-amine (CID 139421017) is 1-(1,5-diethylazepan-3-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(1,5-diethylazepan-3-yl)pyrazol-4-amine?
The canonical SMILES for 1-(1,5-diethylazepan-3-yl)pyrazol-4-amine is CCC1CCN(CC)CC(n2cc(N)cn2)C1.
What is the InChIKey of 1-(1,5-diethylazepan-3-yl)pyrazol-4-amine?
The InChIKey is MZZMOHSNCUZOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-11-5-6-16(4-2)10-13(7-11)17-9-12(14)8-15-17/h8-9,11,13H,3-7,10,14H2,1-2H3.
What are the key properties of 1-(1,5-diethylazepan-3-yl)pyrazol-4-amine?
1-(1,5-diethylazepan-3-yl)pyrazol-4-amine has a molecular weight of 236.36 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-diethylazepan-3-yl)pyrazol-4-amine is sourced from PubChem (CID 139421017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).