1-[[4-(dimethylamino)phenyl]methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile

C17H21N5 — CID 82586257

IUPAC1-[[4-(dimethylamino)phenyl]methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
SMILESCN1CCc2c(c(C#N)nn2Cc2ccc(N(C)C)cc2)C1
InChIInChI=1S/C17H21N5/c1-20(2)14-6-4-13(5-7-14)11-22-17-8-9-21(3)12-15(17)16(10-18)19-22/h4-7H,8-9,11-12H2,1-3H3
InChIKeyNDBYHRMJXVFOMK-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.86
Rot. Bonds3

About 1-[[4-(dimethylamino)phenyl]methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile

1-[[4-(dimethylamino)phenyl]methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile (PubChem CID 82586257) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)phenyl]methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[[4-(dimethylamino)phenyl]methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
PubChem CID82586257
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name1-[[4-(dimethylamino)phenyl]methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
SMILESCN1CCc2c(c(C#N)nn2Cc2ccc(N(C)C)cc2)C1
InChIInChI=1S/C17H21N5/c1-20(2)14-6-4-13(5-7-14)11-22-17-8-9-21(3)12-15(17)16(10-18)19-22/h4-7H,8-9,11-12H2,1-3H3
InChIKeyNDBYHRMJXVFOMK-UHFFFAOYSA-N
XLogP1.86
TPSA48.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)phenyl]methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile?
The IUPAC name of 1-[[4-(dimethylamino)phenyl]methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile (CID 82586257) is 1-[[4-(dimethylamino)phenyl]methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 1-[[4-(dimethylamino)phenyl]methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 1-[[4-(dimethylamino)phenyl]methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile is CN1CCc2c(c(C#N)nn2Cc2ccc(N(C)C)cc2)C1.
What is the InChIKey of 1-[[4-(dimethylamino)phenyl]methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile?
The InChIKey is NDBYHRMJXVFOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-20(2)14-6-4-13(5-7-14)11-22-17-8-9-21(3)12-15(17)16(10-18)19-22/h4-7H,8-9,11-12H2,1-3H3.
What are the key properties of 1-[[4-(dimethylamino)phenyl]methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile?
1-[[4-(dimethylamino)phenyl]methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile has a molecular weight of 295.39 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)phenyl]methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 82586257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).