7-(3-pyrazol-1-ylphenyl)bicyclo[4.1.0]heptan-7-ol

C16H18N2O — CID 79331682

IUPAC7-(3-pyrazol-1-ylphenyl)bicyclo[4.1.0]heptan-7-ol
SMILESOC1(c2cccc(-n3cccn3)c2)C2CCCCC21
InChIInChI=1S/C16H18N2O/c19-16(14-7-1-2-8-15(14)16)12-5-3-6-13(11-12)18-10-4-9-17-18/h3-6,9-11,14-15,19H,1-2,7-8H2
InChIKeyWOOZIGHKYXVPKF-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.88
Rot. Bonds2

About 7-(3-pyrazol-1-ylphenyl)bicyclo[4.1.0]heptan-7-ol

7-(3-pyrazol-1-ylphenyl)bicyclo[4.1.0]heptan-7-ol (PubChem CID 79331682) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 7-(3-pyrazol-1-ylphenyl)bicyclo[4.1.0]heptan-7-ol.

Molecular Properties

Compound Name7-(3-pyrazol-1-ylphenyl)bicyclo[4.1.0]heptan-7-ol
PubChem CID79331682
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name7-(3-pyrazol-1-ylphenyl)bicyclo[4.1.0]heptan-7-ol
SMILESOC1(c2cccc(-n3cccn3)c2)C2CCCCC21
InChIInChI=1S/C16H18N2O/c19-16(14-7-1-2-8-15(14)16)12-5-3-6-13(11-12)18-10-4-9-17-18/h3-6,9-11,14-15,19H,1-2,7-8H2
InChIKeyWOOZIGHKYXVPKF-UHFFFAOYSA-N
XLogP2.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3-pyrazol-1-ylphenyl)bicyclo[4.1.0]heptan-7-ol?
The IUPAC name of 7-(3-pyrazol-1-ylphenyl)bicyclo[4.1.0]heptan-7-ol (CID 79331682) is 7-(3-pyrazol-1-ylphenyl)bicyclo[4.1.0]heptan-7-ol.
What is the SMILES notation for 7-(3-pyrazol-1-ylphenyl)bicyclo[4.1.0]heptan-7-ol?
The canonical SMILES for 7-(3-pyrazol-1-ylphenyl)bicyclo[4.1.0]heptan-7-ol is OC1(c2cccc(-n3cccn3)c2)C2CCCCC21.
What is the InChIKey of 7-(3-pyrazol-1-ylphenyl)bicyclo[4.1.0]heptan-7-ol?
The InChIKey is WOOZIGHKYXVPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c19-16(14-7-1-2-8-15(14)16)12-5-3-6-13(11-12)18-10-4-9-17-18/h3-6,9-11,14-15,19H,1-2,7-8H2.
What are the key properties of 7-(3-pyrazol-1-ylphenyl)bicyclo[4.1.0]heptan-7-ol?
7-(3-pyrazol-1-ylphenyl)bicyclo[4.1.0]heptan-7-ol has a molecular weight of 254.33 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-pyrazol-1-ylphenyl)bicyclo[4.1.0]heptan-7-ol is sourced from PubChem (CID 79331682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).