4-(2-methyl-3,4-dihydropyrazol-5-yl)cyclohepta-2,4-dien-1-imine

C11H15N3 — CID 123960132

IUPAC4-(2-methyl-3,4-dihydropyrazol-5-yl)cyclohepta-2,4-dien-1-imine
SMILES[H]/N=C1/C=CC(C2=NN(C)CC2)=CCC1
InChIInChI=1S/C11H15N3/c1-14-8-7-11(13-14)9-3-2-4-10(12)6-5-9/h3,5-6,12H,2,4,7-8H2,1H3/b12-10+
InChIKeyFYTXYIIXQHZLSX-ZRDIBKRKSA-N
MW189.26 g/mol
LogP1.97
Rot. Bonds1

About 4-(2-methyl-3,4-dihydropyrazol-5-yl)cyclohepta-2,4-dien-1-imine

4-(2-methyl-3,4-dihydropyrazol-5-yl)cyclohepta-2,4-dien-1-imine (PubChem CID 123960132) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-(2-methyl-3,4-dihydropyrazol-5-yl)cyclohepta-2,4-dien-1-imine.

Molecular Properties

Compound Name4-(2-methyl-3,4-dihydropyrazol-5-yl)cyclohepta-2,4-dien-1-imine
PubChem CID123960132
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name4-(2-methyl-3,4-dihydropyrazol-5-yl)cyclohepta-2,4-dien-1-imine
SMILES[H]/N=C1/C=CC(C2=NN(C)CC2)=CCC1
InChIInChI=1S/C11H15N3/c1-14-8-7-11(13-14)9-3-2-4-10(12)6-5-9/h3,5-6,12H,2,4,7-8H2,1H3/b12-10+
InChIKeyFYTXYIIXQHZLSX-ZRDIBKRKSA-N
XLogP1.97
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-methyl-3,4-dihydropyrazol-5-yl)cyclohepta-2,4-dien-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

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3,4-dihydropyrazol-5-yl)cyclohepta-2,4-dien-1-imine?
The IUPAC name of 4-(2-methyl-3,4-dihydropyrazol-5-yl)cyclohepta-2,4-dien-1-imine (CID 123960132) is 4-(2-methyl-3,4-dihydropyrazol-5-yl)cyclohepta-2,4-dien-1-imine.
What is the SMILES notation for 4-(2-methyl-3,4-dihydropyrazol-5-yl)cyclohepta-2,4-dien-1-imine?
The canonical SMILES for 4-(2-methyl-3,4-dihydropyrazol-5-yl)cyclohepta-2,4-dien-1-imine is [H]/N=C1/C=CC(C2=NN(C)CC2)=CCC1.
What is the InChIKey of 4-(2-methyl-3,4-dihydropyrazol-5-yl)cyclohepta-2,4-dien-1-imine?
The InChIKey is FYTXYIIXQHZLSX-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H15N3/c1-14-8-7-11(13-14)9-3-2-4-10(12)6-5-9/h3,5-6,12H,2,4,7-8H2,1H3/b12-10+.
What are the key properties of 4-(2-methyl-3,4-dihydropyrazol-5-yl)cyclohepta-2,4-dien-1-imine?
4-(2-methyl-3,4-dihydropyrazol-5-yl)cyclohepta-2,4-dien-1-imine has a molecular weight of 189.26 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3,4-dihydropyrazol-5-yl)cyclohepta-2,4-dien-1-imine is sourced from PubChem (CID 123960132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).