4-N-(3-pyrazol-1-ylpropyl)benzene-1,4-diamine

C12H16N4 — CID 23104821

IUPAC4-N-(3-pyrazol-1-ylpropyl)benzene-1,4-diamine
SMILESNc1ccc(NCCCn2cccn2)cc1
InChIInChI=1S/C12H16N4/c13-11-3-5-12(6-4-11)14-7-1-9-16-10-2-8-15-16/h2-6,8,10,14H,1,7,9,13H2
InChIKeyHKEHHGNKPUOMCF-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.97
Rot. Bonds5

About 4-N-(3-pyrazol-1-ylpropyl)benzene-1,4-diamine

4-N-(3-pyrazol-1-ylpropyl)benzene-1,4-diamine (PubChem CID 23104821) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 4-N-(3-pyrazol-1-ylpropyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-pyrazol-1-ylpropyl)benzene-1,4-diamine
PubChem CID23104821
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name4-N-(3-pyrazol-1-ylpropyl)benzene-1,4-diamine
SMILESNc1ccc(NCCCn2cccn2)cc1
InChIInChI=1S/C12H16N4/c13-11-3-5-12(6-4-11)14-7-1-9-16-10-2-8-15-16/h2-6,8,10,14H,1,7,9,13H2
InChIKeyHKEHHGNKPUOMCF-UHFFFAOYSA-N
XLogP1.97
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-N-(3-pyrazol-1-ylpropyl)benzene-1,4-diamine 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

N-(3-pyrazol-1-ylpropyl)pyridin-4-amine
CID 115669379
6-N-(3-pyrazol-1-ylpropyl)pyridine-2,3,6-triamine
CID 113412388
N-(2-pyrazol-1-ylethyl)pyridin-4-amine
CID 61462969
4-butyl-N-(2-pyrazol-1-ylethyl)aniline
CID 54962348
4-iodo-1-N-(3-pyrazol-1-ylpropyl)benzene-1,2-diamine
CID 113412372
4-(3-pyrazol-1-ylpropylamino)pyridine-2-carbonitrile
CID 113229421
N-(3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)aniline
CID 112688168
N-(3-pyrazol-1-ylpropyl)pyrazin-2-amine
CID 115580003
5-fluoro-3-N-(2-pyrazol-1-ylethyl)benzene-1,3-diamine
CID 61459841
1-(3-anilinopropyl)-3-ethyl-2-(3-pyrazol-1-ylpropyl)guanidine
CID 111904869
4-amino-3-(3-pyrazol-1-ylpropylamino)benzonitrile
CID 104712294
N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 115579994

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-pyrazol-1-ylpropyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(3-pyrazol-1-ylpropyl)benzene-1,4-diamine (CID 23104821) is 4-N-(3-pyrazol-1-ylpropyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(3-pyrazol-1-ylpropyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(3-pyrazol-1-ylpropyl)benzene-1,4-diamine is Nc1ccc(NCCCn2cccn2)cc1.
What is the InChIKey of 4-N-(3-pyrazol-1-ylpropyl)benzene-1,4-diamine?
The InChIKey is HKEHHGNKPUOMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c13-11-3-5-12(6-4-11)14-7-1-9-16-10-2-8-15-16/h2-6,8,10,14H,1,7,9,13H2.
What are the key properties of 4-N-(3-pyrazol-1-ylpropyl)benzene-1,4-diamine?
4-N-(3-pyrazol-1-ylpropyl)benzene-1,4-diamine has a molecular weight of 216.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-pyrazol-1-ylpropyl)benzene-1,4-diamine is sourced from PubChem (CID 23104821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).