1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile

C15H16N4 — CID 82586237

IUPAC1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
SMILESCN1CCc2c(c(C#N)nn2Cc2ccccc2)C1
InChIInChI=1S/C15H16N4/c1-18-8-7-15-13(11-18)14(9-16)17-19(15)10-12-5-3-2-4-6-12/h2-6H,7-8,10-11H2,1H3
InChIKeyUKDYXSVWVPEOIF-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.79
Rot. Bonds2

About 1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile

1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile (PubChem CID 82586237) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
PubChem CID82586237
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
SMILESCN1CCc2c(c(C#N)nn2Cc2ccccc2)C1
InChIInChI=1S/C15H16N4/c1-18-8-7-15-13(11-18)14(9-16)17-19(15)10-12-5-3-2-4-6-12/h2-6H,7-8,10-11H2,1H3
InChIKeyUKDYXSVWVPEOIF-UHFFFAOYSA-N
XLogP1.79
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

E-55888
CID 24825775
1-benzyl-3,5-dimethyl-4-[(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 5303281
3-[4-(5-Methyl-4-phenyl-pyrazol-1-yl)-piperidin-1-ylmethyl]-benzonitrile
CID 10360923
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
3,5-dimethyl-1-(2-phenylethyl)-1H-pyrazole
CID 573288
6-Benzyl-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
CID 659734
1h-Pyrazolo[4,3-c]pyridine,3-(4-fluorophenyl)-4,5,6,7-tetrahydro-5-(1-methylethyl)-1-(phenylmethyl)-
CID 44385342
1-Benzyl-4-(3-methyl-5-phenyl-pyrazol-1-yl)-piperidine
CID 44459452
3-(4-fluorophenyl)-5-methyl-1-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride
CID 45263098
1-benzyl-5-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride
CID 45263126
3-(4-fluorophenyl)-5-methyl-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride
CID 45265725

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile?
The IUPAC name of 1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile (CID 82586237) is 1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile is CN1CCc2c(c(C#N)nn2Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile?
The InChIKey is UKDYXSVWVPEOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-18-8-7-15-13(11-18)14(9-16)17-19(15)10-12-5-3-2-4-6-12/h2-6H,7-8,10-11H2,1H3.
What are the key properties of 1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile?
1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 82586237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).