2-indazol-1-yl-4-propylcyclohexan-1-ol

C16H22N2O — CID 55040790

IUPAC2-indazol-1-yl-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(n2ncc3ccccc32)C1
InChIInChI=1S/C16H22N2O/c1-2-5-12-8-9-16(19)15(10-12)18-14-7-4-3-6-13(14)11-17-18/h3-4,6-7,11-12,15-16,19H,2,5,8-10H2,1H3
InChIKeyINIGRYCSGVRMHO-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.54
Rot. Bonds3

About 2-indazol-1-yl-4-propylcyclohexan-1-ol

2-indazol-1-yl-4-propylcyclohexan-1-ol (PubChem CID 55040790) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-indazol-1-yl-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-indazol-1-yl-4-propylcyclohexan-1-ol
PubChem CID55040790
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-indazol-1-yl-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(n2ncc3ccccc32)C1
InChIInChI=1S/C16H22N2O/c1-2-5-12-8-9-16(19)15(10-12)18-14-7-4-3-6-13(14)11-17-18/h3-4,6-7,11-12,15-16,19H,2,5,8-10H2,1H3
InChIKeyINIGRYCSGVRMHO-UHFFFAOYSA-N
XLogP3.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-4-propylcyclohexan-1-ol?
The IUPAC name of 2-indazol-1-yl-4-propylcyclohexan-1-ol (CID 55040790) is 2-indazol-1-yl-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-indazol-1-yl-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-indazol-1-yl-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(n2ncc3ccccc32)C1.
What is the InChIKey of 2-indazol-1-yl-4-propylcyclohexan-1-ol?
The InChIKey is INIGRYCSGVRMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-5-12-8-9-16(19)15(10-12)18-14-7-4-3-6-13(14)11-17-18/h3-4,6-7,11-12,15-16,19H,2,5,8-10H2,1H3.
What are the key properties of 2-indazol-1-yl-4-propylcyclohexan-1-ol?
2-indazol-1-yl-4-propylcyclohexan-1-ol has a molecular weight of 258.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-4-propylcyclohexan-1-ol is sourced from PubChem (CID 55040790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).