1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile

C11H16N4 — CID 105456666

IUPAC1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
SMILESCC(C)Cn1nc(C#N)c2c1CCNC2
InChIInChI=1S/C11H16N4/c1-8(2)7-15-11-3-4-13-6-9(11)10(5-12)14-15/h8,13H,3-4,6-7H2,1-2H3
InChIKeyXOAZMHCRPPAEAL-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.06
Rot. Bonds2

About 1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile

1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile (PubChem CID 105456666) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
PubChem CID105456666
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
SMILESCC(C)Cn1nc(C#N)c2c1CCNC2
InChIInChI=1S/C11H16N4/c1-8(2)7-15-11-3-4-13-6-9(11)10(5-12)14-15/h8,13H,3-4,6-7H2,1-2H3
InChIKeyXOAZMHCRPPAEAL-UHFFFAOYSA-N
XLogP1.06
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile
CID 105456674
1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 105480647
1-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
CID 82588635
1-[(4-tert-butylphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
CID 82588660
1-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
CID 82588668
1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonitrile
CID 105444451
3-(3-cyano-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid
CID 82588694
1-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
CID 82588718
1,3-diethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 84647059
3-bromo-1-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 105487454
5-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
CID 105473125
3-ethyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82586537

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile?
The IUPAC name of 1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile (CID 105456666) is 1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile is CC(C)Cn1nc(C#N)c2c1CCNC2.
What is the InChIKey of 1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile?
The InChIKey is XOAZMHCRPPAEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-8(2)7-15-11-3-4-13-6-9(11)10(5-12)14-15/h8,13H,3-4,6-7H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile?
1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile has a molecular weight of 204.28 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 105456666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).