(2R)-3-cyclohexyl-2-(6-hydroxy-2H-indazol-3-yl)propanenitrile

C16H19N3O — CID 135566718

IUPAC(2R)-3-cyclohexyl-2-(6-hydroxy-2H-indazol-3-yl)propanenitrile
SMILESN#C[C@H](CC1CCCCC1)c1[nH]nc2cc(O)ccc12
InChIInChI=1S/C16H19N3O/c17-10-12(8-11-4-2-1-3-5-11)16-14-7-6-13(20)9-15(14)18-19-16/h6-7,9,11-12,20H,1-5,8H2,(H,18,19)/t12-/m0/s1
InChIKeyAOMNIOAFHKBEKZ-LBPRGKRZSA-N
MW269.35 g/mol
LogP3.85
Rot. Bonds3

About (2R)-3-cyclohexyl-2-(6-hydroxy-2H-indazol-3-yl)propanenitrile

(2R)-3-cyclohexyl-2-(6-hydroxy-2H-indazol-3-yl)propanenitrile (PubChem CID 135566718) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (2R)-3-cyclohexyl-2-(6-hydroxy-2H-indazol-3-yl)propanenitrile.

Molecular Properties

Compound Name(2R)-3-cyclohexyl-2-(6-hydroxy-2H-indazol-3-yl)propanenitrile
PubChem CID135566718
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(2R)-3-cyclohexyl-2-(6-hydroxy-2H-indazol-3-yl)propanenitrile
SMILESN#C[C@H](CC1CCCCC1)c1[nH]nc2cc(O)ccc12
InChIInChI=1S/C16H19N3O/c17-10-12(8-11-4-2-1-3-5-11)16-14-7-6-13(20)9-15(14)18-19-16/h6-7,9,11-12,20H,1-5,8H2,(H,18,19)/t12-/m0/s1
InChIKeyAOMNIOAFHKBEKZ-LBPRGKRZSA-N
XLogP3.85
TPSA72.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclohexyl-2-(6-hydroxy-2H-indazol-3-yl)propanenitrile?
The IUPAC name of (2R)-3-cyclohexyl-2-(6-hydroxy-2H-indazol-3-yl)propanenitrile (CID 135566718) is (2R)-3-cyclohexyl-2-(6-hydroxy-2H-indazol-3-yl)propanenitrile.
What is the SMILES notation for (2R)-3-cyclohexyl-2-(6-hydroxy-2H-indazol-3-yl)propanenitrile?
The canonical SMILES for (2R)-3-cyclohexyl-2-(6-hydroxy-2H-indazol-3-yl)propanenitrile is N#C[C@H](CC1CCCCC1)c1[nH]nc2cc(O)ccc12.
What is the InChIKey of (2R)-3-cyclohexyl-2-(6-hydroxy-2H-indazol-3-yl)propanenitrile?
The InChIKey is AOMNIOAFHKBEKZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O/c17-10-12(8-11-4-2-1-3-5-11)16-14-7-6-13(20)9-15(14)18-19-16/h6-7,9,11-12,20H,1-5,8H2,(H,18,19)/t12-/m0/s1.
What are the key properties of (2R)-3-cyclohexyl-2-(6-hydroxy-2H-indazol-3-yl)propanenitrile?
(2R)-3-cyclohexyl-2-(6-hydroxy-2H-indazol-3-yl)propanenitrile has a molecular weight of 269.35 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclohexyl-2-(6-hydroxy-2H-indazol-3-yl)propanenitrile is sourced from PubChem (CID 135566718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).