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

C11H16N4 — CID 105456674

IUPAC2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile
SMILESCC(C)Cn1nc2c(c1C#N)CCNC2
InChIInChI=1S/C11H16N4/c1-8(2)7-15-11(5-12)9-3-4-13-6-10(9)14-15/h8,13H,3-4,6-7H2,1-2H3
InChIKeyGUKPUHAJNNJKTE-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.06
Rot. Bonds2

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

2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile (PubChem CID 105456674) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile
PubChem CID105456674
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile
SMILESCC(C)Cn1nc2c(c1C#N)CCNC2
InChIInChI=1S/C11H16N4/c1-8(2)7-15-11(5-12)9-3-4-13-6-10(9)14-15/h8,13H,3-4,6-7H2,1-2H3
InChIKeyGUKPUHAJNNJKTE-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-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile
CID 105431907
1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
CID 105456666
5-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
CID 105473125
1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 105480647
1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonitrile
CID 105444451
(2-ethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-3-yl)methanol
CID 105439524
2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbaldehyde
CID 105447284
2-tert-butyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856921
2-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126857417
N-ethyl-2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-3-amine
CID 84657576
2-(2-methoxypropyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742173
3-bromo-2-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-4-carbonitrile
CID 131503038

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile?
The IUPAC name of 2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile (CID 105456674) is 2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile is CC(C)Cn1nc2c(c1C#N)CCNC2.
What is the InChIKey of 2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile?
The InChIKey is GUKPUHAJNNJKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-8(2)7-15-11(5-12)9-3-4-13-6-10(9)14-15/h8,13H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile?
2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[3,4-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 2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile is sourced from PubChem (CID 105456674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).