2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylpyrazol-4-yl)ethanol

C18H22N2O — CID 61089139

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylpyrazol-4-yl)ethanol
SMILESOC(CC1CC2CCC1C2)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H22N2O/c21-18(10-15-9-13-6-7-14(15)8-13)16-11-19-20(12-16)17-4-2-1-3-5-17/h1-5,11-15,18,21H,6-10H2
InChIKeyVPUWMYJTCONFLQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.73
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylpyrazol-4-yl)ethanol

2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylpyrazol-4-yl)ethanol (PubChem CID 61089139) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylpyrazol-4-yl)ethanol
PubChem CID61089139
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylpyrazol-4-yl)ethanol
SMILESOC(CC1CC2CCC1C2)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H22N2O/c21-18(10-15-9-13-6-7-14(15)8-13)16-11-19-20(12-16)17-4-2-1-3-5-17/h1-5,11-15,18,21H,6-10H2
InChIKeyVPUWMYJTCONFLQ-UHFFFAOYSA-N
XLogP3.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylpyrazol-4-yl)ethanol (CID 61089139) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylpyrazol-4-yl)ethanol is OC(CC1CC2CCC1C2)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylpyrazol-4-yl)ethanol?
The InChIKey is VPUWMYJTCONFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c21-18(10-15-9-13-6-7-14(15)8-13)16-11-19-20(12-16)17-4-2-1-3-5-17/h1-5,11-15,18,21H,6-10H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylpyrazol-4-yl)ethanol?
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylpyrazol-4-yl)ethanol has a molecular weight of 282.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylpyrazol-4-yl)ethanol is sourced from PubChem (CID 61089139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).