1-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile

C14H14N4 — CID 82588635

IUPAC1-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
SMILESN#Cc1nn(Cc2ccccc2)c2c1CNCC2
InChIInChI=1S/C14H14N4/c15-8-13-12-9-16-7-6-14(12)18(17-13)10-11-4-2-1-3-5-11/h1-5,16H,6-7,9-10H2
InChIKeyDCSOCUSWMXLVPG-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.45
Rot. Bonds2

About 1-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile

1-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile (PubChem CID 82588635) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
PubChem CID82588635
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name1-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
SMILESN#Cc1nn(Cc2ccccc2)c2c1CNCC2
InChIInChI=1S/C14H14N4/c15-8-13-12-9-16-7-6-14(12)18(17-13)10-11-4-2-1-3-5-11/h1-5,16H,6-7,9-10H2
InChIKeyDCSOCUSWMXLVPG-UHFFFAOYSA-N
XLogP1.45
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile?
The IUPAC name of 1-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile (CID 82588635) is 1-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 1-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 1-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile is N#Cc1nn(Cc2ccccc2)c2c1CNCC2.
What is the InChIKey of 1-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile?
The InChIKey is DCSOCUSWMXLVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c15-8-13-12-9-16-7-6-14(12)18(17-13)10-11-4-2-1-3-5-11/h1-5,16H,6-7,9-10H2.
What are the key properties of 1-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile?
1-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 82588635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).