3-[(5-methyl-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)methyl]benzonitrile

C21H20N4 — CID 82585939

IUPAC3-[(5-methyl-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)methyl]benzonitrile
SMILESCN1CCc2c(c(-c3ccccc3)nn2Cc2cccc(C#N)c2)C1
InChIInChI=1S/C21H20N4/c1-24-11-10-20-19(15-24)21(18-8-3-2-4-9-18)23-25(20)14-17-7-5-6-16(12-17)13-22/h2-9,12H,10-11,14-15H2,1H3
InChIKeyDKGPBRWRQKGWGH-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.46
Rot. Bonds3

About 3-[(5-methyl-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)methyl]benzonitrile

3-[(5-methyl-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)methyl]benzonitrile (PubChem CID 82585939) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[(5-methyl-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name3-[(5-methyl-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)methyl]benzonitrile
PubChem CID82585939
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC Name3-[(5-methyl-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)methyl]benzonitrile
SMILESCN1CCc2c(c(-c3ccccc3)nn2Cc2cccc(C#N)c2)C1
InChIInChI=1S/C21H20N4/c1-24-11-10-20-19(15-24)21(18-8-3-2-4-9-18)23-25(20)14-17-7-5-6-16(12-17)13-22/h2-9,12H,10-11,14-15H2,1H3
InChIKeyDKGPBRWRQKGWGH-UHFFFAOYSA-N
XLogP3.46
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(5-methyl-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)methyl]benzonitrile with MolForge

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Related Compounds

Difenzoquat
CID 39425
E-55888
CID 24825775
1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219157
1-Benzyl-4-(5-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 9949442
3-[4-(5-Methyl-4-phenyl-pyrazol-1-yl)-piperidin-1-ylmethyl]-benzonitrile
CID 10360923
1-Methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole
CID 11573361
1-Benzyl-4-(5-phenyl-pyrazol-1-yl)-piperidine
CID 21219154
3-[4-(3-Methyl-4-phenyl-pyrazol-1-yl)-piperidin-1-ylmethyl]-benzonitrile
CID 21219176
3-(4-fluorophenyl)-5-methyl-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 44383830
1h-Pyrazolo[4,3-c]pyridine,3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-(phenylmethyl)-,hydrochloride
CID 45263015
1-benzyl-3-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methanesulfonic acid
CID 44383887
1h-Pyrazolo[4,3-c]pyridine,3-(4-fluorophenyl)-4,5,6,7-tetrahydro-5-(1-methylethyl)-1-(phenylmethyl)-
CID 44385342

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)methyl]benzonitrile?
The IUPAC name of 3-[(5-methyl-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)methyl]benzonitrile (CID 82585939) is 3-[(5-methyl-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)methyl]benzonitrile.
What is the SMILES notation for 3-[(5-methyl-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)methyl]benzonitrile?
The canonical SMILES for 3-[(5-methyl-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)methyl]benzonitrile is CN1CCc2c(c(-c3ccccc3)nn2Cc2cccc(C#N)c2)C1.
What is the InChIKey of 3-[(5-methyl-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)methyl]benzonitrile?
The InChIKey is DKGPBRWRQKGWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4/c1-24-11-10-20-19(15-24)21(18-8-3-2-4-9-18)23-25(20)14-17-7-5-6-16(12-17)13-22/h2-9,12H,10-11,14-15H2,1H3.
What are the key properties of 3-[(5-methyl-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)methyl]benzonitrile?
3-[(5-methyl-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)methyl]benzonitrile has a molecular weight of 328.42 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)methyl]benzonitrile is sourced from PubChem (CID 82585939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).