6-pyrazol-1-yl-3,4-dihydro-2H-naphthalen-1-imine

C13H13N3 — CID 141100567

IUPAC6-pyrazol-1-yl-3,4-dihydro-2H-naphthalen-1-imine
SMILES[H]/N=C1\CCCc2cc(-n3cccn3)ccc21
InChIInChI=1S/C13H13N3/c14-13-4-1-3-10-9-11(5-6-12(10)13)16-8-2-7-15-16/h2,5-9,14H,1,3-4H2/b14-13+
InChIKeyIRFYJCLAFIHZMC-BUHFOSPRSA-N
MW211.27 g/mol
LogP2.58
Rot. Bonds1

About 6-pyrazol-1-yl-3,4-dihydro-2H-naphthalen-1-imine

6-pyrazol-1-yl-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 141100567) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 6-pyrazol-1-yl-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

Compound Name6-pyrazol-1-yl-3,4-dihydro-2H-naphthalen-1-imine
PubChem CID141100567
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name6-pyrazol-1-yl-3,4-dihydro-2H-naphthalen-1-imine
SMILES[H]/N=C1\CCCc2cc(-n3cccn3)ccc21
InChIInChI=1S/C13H13N3/c14-13-4-1-3-10-9-11(5-6-12(10)13)16-8-2-7-15-16/h2,5-9,14H,1,3-4H2/b14-13+
InChIKeyIRFYJCLAFIHZMC-BUHFOSPRSA-N
XLogP2.58
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-pyrazol-1-yl-3,4-dihydro-2H-naphthalen-1-imine 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

CID 25333445
CID 25333445
CID 137946
CID 137946
CID 2764412
CID 2764412
CID 7015036
CID 7015036
CID 11983282
CID 11983282
CID 44419065
CID 44419065
CID 700979
CID 700979
CID 2768365
CID 2768365
CID 5341356
CID 5341356
CID 809797
CID 809797
CID 7164581
CID 7164581
CID 2776483
CID 2776483

Frequently Asked Questions

What is the IUPAC name of 6-pyrazol-1-yl-3,4-dihydro-2H-naphthalen-1-imine?
The IUPAC name of 6-pyrazol-1-yl-3,4-dihydro-2H-naphthalen-1-imine (CID 141100567) is 6-pyrazol-1-yl-3,4-dihydro-2H-naphthalen-1-imine.
What is the SMILES notation for 6-pyrazol-1-yl-3,4-dihydro-2H-naphthalen-1-imine?
The canonical SMILES for 6-pyrazol-1-yl-3,4-dihydro-2H-naphthalen-1-imine is [H]/N=C1\CCCc2cc(-n3cccn3)ccc21.
What is the InChIKey of 6-pyrazol-1-yl-3,4-dihydro-2H-naphthalen-1-imine?
The InChIKey is IRFYJCLAFIHZMC-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H13N3/c14-13-4-1-3-10-9-11(5-6-12(10)13)16-8-2-7-15-16/h2,5-9,14H,1,3-4H2/b14-13+.
What are the key properties of 6-pyrazol-1-yl-3,4-dihydro-2H-naphthalen-1-imine?
6-pyrazol-1-yl-3,4-dihydro-2H-naphthalen-1-imine has a molecular weight of 211.27 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrazol-1-yl-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 141100567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).