7-(1H-pyrazol-5-yl)bicyclo[4.1.0]heptan-7-ol

C10H14N2O — CID 79332001

IUPAC7-(1H-pyrazol-5-yl)bicyclo[4.1.0]heptan-7-ol
SMILESOC1(c2ccn[nH]2)C2CCCCC21
InChIInChI=1S/C10H14N2O/c13-10(9-5-6-11-12-9)7-3-1-2-4-8(7)10/h5-8,13H,1-4H2,(H,11,12)
InChIKeyVWVKTRGTDWZWOG-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.42
Rot. Bonds1

About 7-(1H-pyrazol-5-yl)bicyclo[4.1.0]heptan-7-ol

7-(1H-pyrazol-5-yl)bicyclo[4.1.0]heptan-7-ol (PubChem CID 79332001) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 7-(1H-pyrazol-5-yl)bicyclo[4.1.0]heptan-7-ol.

Molecular Properties

Compound Name7-(1H-pyrazol-5-yl)bicyclo[4.1.0]heptan-7-ol
PubChem CID79332001
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name7-(1H-pyrazol-5-yl)bicyclo[4.1.0]heptan-7-ol
SMILESOC1(c2ccn[nH]2)C2CCCCC21
InChIInChI=1S/C10H14N2O/c13-10(9-5-6-11-12-9)7-3-1-2-4-8(7)10/h5-8,13H,1-4H2,(H,11,12)
InChIKeyVWVKTRGTDWZWOG-UHFFFAOYSA-N
XLogP1.42
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(1H-pyrazol-5-yl)bicyclo[4.1.0]heptan-7-ol?
The IUPAC name of 7-(1H-pyrazol-5-yl)bicyclo[4.1.0]heptan-7-ol (CID 79332001) is 7-(1H-pyrazol-5-yl)bicyclo[4.1.0]heptan-7-ol.
What is the SMILES notation for 7-(1H-pyrazol-5-yl)bicyclo[4.1.0]heptan-7-ol?
The canonical SMILES for 7-(1H-pyrazol-5-yl)bicyclo[4.1.0]heptan-7-ol is OC1(c2ccn[nH]2)C2CCCCC21.
What is the InChIKey of 7-(1H-pyrazol-5-yl)bicyclo[4.1.0]heptan-7-ol?
The InChIKey is VWVKTRGTDWZWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c13-10(9-5-6-11-12-9)7-3-1-2-4-8(7)10/h5-8,13H,1-4H2,(H,11,12).
What are the key properties of 7-(1H-pyrazol-5-yl)bicyclo[4.1.0]heptan-7-ol?
7-(1H-pyrazol-5-yl)bicyclo[4.1.0]heptan-7-ol has a molecular weight of 178.24 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-pyrazol-5-yl)bicyclo[4.1.0]heptan-7-ol is sourced from PubChem (CID 79332001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).