(7E)-7-benzylidene-5-methyl-3-phenyl-2-propyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine

C23H27N3 — CID 6912291

IUPAC(7E)-7-benzylidene-5-methyl-3-phenyl-2-propyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCCN1N=C2/C(=C/c3ccccc3)CN(C)CC2C1c1ccccc1
InChIInChI=1S/C23H27N3/c1-3-14-26-23(19-12-8-5-9-13-19)21-17-25(2)16-20(22(21)24-26)15-18-10-6-4-7-11-18/h4-13,15,21,23H,3,14,16-17H2,1-2H3/b20-15+
InChIKeyUVBNYVYRLVXIFP-HMMYKYKNSA-N
MW345.49 g/mol
LogP4.45
Rot. Bonds4

About (7E)-7-benzylidene-5-methyl-3-phenyl-2-propyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine

(7E)-7-benzylidene-5-methyl-3-phenyl-2-propyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 6912291) has the molecular formula C23H27N3 and a molecular weight of 345.49 g/mol. Its IUPAC name is (7E)-7-benzylidene-5-methyl-3-phenyl-2-propyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name(7E)-7-benzylidene-5-methyl-3-phenyl-2-propyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID6912291
Molecular FormulaC23H27N3
Molecular Weight345.49 g/mol
Exact Mass345.22
IUPAC Name(7E)-7-benzylidene-5-methyl-3-phenyl-2-propyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCCN1N=C2/C(=C/c3ccccc3)CN(C)CC2C1c1ccccc1
InChIInChI=1S/C23H27N3/c1-3-14-26-23(19-12-8-5-9-13-19)21-17-25(2)16-20(22(21)24-26)15-18-10-6-4-7-11-18/h4-13,15,21,23H,3,14,16-17H2,1-2H3/b20-15+
InChIKeyUVBNYVYRLVXIFP-HMMYKYKNSA-N
XLogP4.45
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (7E)-7-benzylidene-5-methyl-3-phenyl-2-propyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine with MolForge

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Related Compounds

1,3-Dimethyl-2,6-diphenyl-piperidin-4-one oxime
CID 5333825
1-methyl-3,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 10376837
(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)acetonitrile
CID 3544811
2-Methyl-3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazole
CID 275641
2-Methyl-3-(4-propan-2-ylphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole
CID 2738085
4-Benzyl-N-(3-phenyl-2-propenylidene)-1-piperazinamine
CID 5342860
3-(2-Fluorophenyl)-2-methyl-5-phenyl-3,4-dihydropyrazole
CID 72164304
3-(3-Fluorophenyl)-2-methyl-5-phenyl-3,4-dihydropyrazole
CID 72164305
3-(4-Fluorophenyl)-2-methyl-5-phenyl-3,4-dihydropyrazole
CID 72164306
2-Methyl-3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazole
CID 72164307
2-Methyl-3-(3-methylphenyl)-5-phenyl-3,4-dihydropyrazole
CID 72164308
N-(1-methyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine
CID 280709

Frequently Asked Questions

What is the IUPAC name of (7E)-7-benzylidene-5-methyl-3-phenyl-2-propyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of (7E)-7-benzylidene-5-methyl-3-phenyl-2-propyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine (CID 6912291) is (7E)-7-benzylidene-5-methyl-3-phenyl-2-propyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for (7E)-7-benzylidene-5-methyl-3-phenyl-2-propyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for (7E)-7-benzylidene-5-methyl-3-phenyl-2-propyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine is CCCN1N=C2/C(=C/c3ccccc3)CN(C)CC2C1c1ccccc1.
What is the InChIKey of (7E)-7-benzylidene-5-methyl-3-phenyl-2-propyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is UVBNYVYRLVXIFP-HMMYKYKNSA-N. The full InChI is InChI=1S/C23H27N3/c1-3-14-26-23(19-12-8-5-9-13-19)21-17-25(2)16-20(22(21)24-26)15-18-10-6-4-7-11-18/h4-13,15,21,23H,3,14,16-17H2,1-2H3/b20-15+.
What are the key properties of (7E)-7-benzylidene-5-methyl-3-phenyl-2-propyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine?
(7E)-7-benzylidene-5-methyl-3-phenyl-2-propyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 345.49 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-benzylidene-5-methyl-3-phenyl-2-propyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 6912291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).