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

C22H26ClN3 — CID 90668465

IUPAC(7E)-7-benzylidene-5-ethyl-2-methyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
SMILESCCN1C/C(=C\c2ccccc2)C2=NN(C)C(c3ccccc3)C2C1.Cl
InChIInChI=1S/C22H25N3.ClH/c1-3-25-15-19(14-17-10-6-4-7-11-17)21-20(16-25)22(24(2)23-21)18-12-8-5-9-13-18;/h4-14,20,22H,3,15-16H2,1-2H3;1H/b19-14+;
InChIKeyDCMMOVXNUGOZCN-UGAWPWHASA-N
MW367.92 g/mol
LogP4.49
Rot. Bonds3

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

(7E)-7-benzylidene-5-ethyl-2-methyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride (PubChem CID 90668465) has the molecular formula C22H26ClN3 and a molecular weight of 367.92 g/mol. Its IUPAC name is (7E)-7-benzylidene-5-ethyl-2-methyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name(7E)-7-benzylidene-5-ethyl-2-methyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
PubChem CID90668465
Molecular FormulaC22H26ClN3
Molecular Weight367.92 g/mol
Exact Mass367.18
IUPAC Name(7E)-7-benzylidene-5-ethyl-2-methyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
SMILESCCN1C/C(=C\c2ccccc2)C2=NN(C)C(c3ccccc3)C2C1.Cl
InChIInChI=1S/C22H25N3.ClH/c1-3-25-15-19(14-17-10-6-4-7-11-17)21-20(16-25)22(24(2)23-21)18-12-8-5-9-13-18;/h4-14,20,22H,3,15-16H2,1-2H3;1H/b19-14+;
InChIKeyDCMMOVXNUGOZCN-UGAWPWHASA-N
XLogP4.49
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (7E)-7-benzylidene-5-ethyl-2-methyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride 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
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
4-benzyl-N-[(2E)-2-methyl-3-phenylprop-2-enylidene]piperazin-1-amine
CID 5342985

Frequently Asked Questions

What is the IUPAC name of (7E)-7-benzylidene-5-ethyl-2-methyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
The IUPAC name of (7E)-7-benzylidene-5-ethyl-2-methyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride (CID 90668465) is (7E)-7-benzylidene-5-ethyl-2-methyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride.
What is the SMILES notation for (7E)-7-benzylidene-5-ethyl-2-methyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
The canonical SMILES for (7E)-7-benzylidene-5-ethyl-2-methyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride is CCN1C/C(=C\c2ccccc2)C2=NN(C)C(c3ccccc3)C2C1.Cl.
What is the InChIKey of (7E)-7-benzylidene-5-ethyl-2-methyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
The InChIKey is DCMMOVXNUGOZCN-UGAWPWHASA-N. The full InChI is InChI=1S/C22H25N3.ClH/c1-3-25-15-19(14-17-10-6-4-7-11-17)21-20(16-25)22(24(2)23-21)18-12-8-5-9-13-18;/h4-14,20,22H,3,15-16H2,1-2H3;1H/b19-14+;.
What are the key properties of (7E)-7-benzylidene-5-ethyl-2-methyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
(7E)-7-benzylidene-5-ethyl-2-methyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-benzylidene-5-ethyl-2-methyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride is sourced from PubChem (CID 90668465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).