2-[(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)methyl]benzonitrile

C16H18N4 — CID 82585683

IUPAC2-[(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)methyl]benzonitrile
SMILESCc1nn(Cc2ccccc2C#N)c2c1CN(C)CC2
InChIInChI=1S/C16H18N4/c1-12-15-11-19(2)8-7-16(15)20(18-12)10-14-6-4-3-5-13(14)9-17/h3-6H,7-8,10-11H2,1-2H3
InChIKeyXAFRADLMPLPKKH-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.10
Rot. Bonds2

About 2-[(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)methyl]benzonitrile

2-[(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)methyl]benzonitrile (PubChem CID 82585683) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)methyl]benzonitrile
PubChem CID82585683
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2-[(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)methyl]benzonitrile
SMILESCc1nn(Cc2ccccc2C#N)c2c1CN(C)CC2
InChIInChI=1S/C16H18N4/c1-12-15-11-19(2)8-7-16(15)20(18-12)10-14-6-4-3-5-13(14)9-17/h3-6H,7-8,10-11H2,1-2H3
InChIKeyXAFRADLMPLPKKH-UHFFFAOYSA-N
XLogP2.10
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetonitrile
CID 82585678
1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
CID 82586237
2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]benzonitrile
CID 55029434
1-[[4-(dimethylamino)phenyl]methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
CID 82586257
2-(aziridin-1-ylmethyl)benzonitrile
CID 102051024
3-[[3-(4-hydroxyphenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]methyl]benzonitrile
CID 136817832
ethyl 1-[(3-cyanophenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 82585845
2-[(10-methyl-3,4-dioxo-[1,2,4]triazino[4,3-a]benzimidazol-2-yl)methyl]benzonitrile
CID 1435106
2-[(4-methylimidazol-1-yl)methyl]benzonitrile
CID 68674077
2-[[3-[(2-cyanophenyl)methyl]-4,5-dimethyl-2-oxoimidazol-1-yl]methyl]benzonitrile
CID 67586386
2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxymethyl]benzonitrile
CID 18695678
2-[(4-methyl-6-oxopyridazin-1-yl)methyl]benzonitrile
CID 106548669

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)methyl]benzonitrile?
The IUPAC name of 2-[(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)methyl]benzonitrile (CID 82585683) is 2-[(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)methyl]benzonitrile.
What is the SMILES notation for 2-[(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)methyl]benzonitrile?
The canonical SMILES for 2-[(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)methyl]benzonitrile is Cc1nn(Cc2ccccc2C#N)c2c1CN(C)CC2.
What is the InChIKey of 2-[(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)methyl]benzonitrile?
The InChIKey is XAFRADLMPLPKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-12-15-11-19(2)8-7-16(15)20(18-12)10-14-6-4-3-5-13(14)9-17/h3-6H,7-8,10-11H2,1-2H3.
What are the key properties of 2-[(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)methyl]benzonitrile?
2-[(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)methyl]benzonitrile has a molecular weight of 266.35 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)methyl]benzonitrile is sourced from PubChem (CID 82585683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).