3-(5-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)propanenitrile

C13H19N3 — CID 58394922

IUPAC3-(5-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)propanenitrile
SMILESCC(C)C1CCc2nn(CCC#N)cc2C1
InChIInChI=1S/C13H19N3/c1-10(2)11-4-5-13-12(8-11)9-16(15-13)7-3-6-14/h9-11H,3-5,7-8H2,1-2H3
InChIKeyLEHWTCQGCVANBM-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.56
Rot. Bonds3

About 3-(5-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)propanenitrile

3-(5-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)propanenitrile (PubChem CID 58394922) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 3-(5-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)propanenitrile.

Molecular Properties

Compound Name3-(5-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)propanenitrile
PubChem CID58394922
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name3-(5-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)propanenitrile
SMILESCC(C)C1CCc2nn(CCC#N)cc2C1
InChIInChI=1S/C13H19N3/c1-10(2)11-4-5-13-12(8-11)9-16(15-13)7-3-6-14/h9-11H,3-5,7-8H2,1-2H3
InChIKeyLEHWTCQGCVANBM-UHFFFAOYSA-N
XLogP2.56
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)propanenitrile?
The IUPAC name of 3-(5-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)propanenitrile (CID 58394922) is 3-(5-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)propanenitrile.
What is the SMILES notation for 3-(5-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)propanenitrile?
The canonical SMILES for 3-(5-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)propanenitrile is CC(C)C1CCc2nn(CCC#N)cc2C1.
What is the InChIKey of 3-(5-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)propanenitrile?
The InChIKey is LEHWTCQGCVANBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-10(2)11-4-5-13-12(8-11)9-16(15-13)7-3-6-14/h9-11H,3-5,7-8H2,1-2H3.
What are the key properties of 3-(5-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)propanenitrile?
3-(5-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)propanenitrile has a molecular weight of 217.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl)propanenitrile is sourced from PubChem (CID 58394922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).