3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine

C15H20N4 — CID 79462283

IUPAC3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine
SMILESNC1CCC(Nc2cnn(Cc3ccccc3)c2)C1
InChIInChI=1S/C15H20N4/c16-13-6-7-14(8-13)18-15-9-17-19(11-15)10-12-4-2-1-3-5-12/h1-5,9,11,13-14,18H,6-8,10,16H2
InChIKeyBWVFNQYKSJLMBF-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.22
Rot. Bonds4

About 3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine

3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine (PubChem CID 79462283) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine
PubChem CID79462283
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine
SMILESNC1CCC(Nc2cnn(Cc3ccccc3)c2)C1
InChIInChI=1S/C15H20N4/c16-13-6-7-14(8-13)18-15-9-17-19(11-15)10-12-4-2-1-3-5-12/h1-5,9,11,13-14,18H,6-8,10,16H2
InChIKeyBWVFNQYKSJLMBF-UHFFFAOYSA-N
XLogP2.22
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine 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 3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine (CID 79462283) is 3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine is NC1CCC(Nc2cnn(Cc3ccccc3)c2)C1.
What is the InChIKey of 3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine?
The InChIKey is BWVFNQYKSJLMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c16-13-6-7-14(8-13)18-15-9-17-19(11-15)10-12-4-2-1-3-5-12/h1-5,9,11,13-14,18H,6-8,10,16H2.
What are the key properties of 3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine?
3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine is sourced from PubChem (CID 79462283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).