7-(1,3,5-trimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol

C13H20N2O — CID 79331791

IUPAC7-(1,3,5-trimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol
SMILESCc1nn(C)c(C)c1C1(O)C2CCCCC21
InChIInChI=1S/C13H20N2O/c1-8-12(9(2)15(3)14-8)13(16)10-6-4-5-7-11(10)13/h10-11,16H,4-7H2,1-3H3
InChIKeyNCIIQLNKZMWTJF-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.04
Rot. Bonds1

About 7-(1,3,5-trimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol

7-(1,3,5-trimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol (PubChem CID 79331791) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 7-(1,3,5-trimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol.

Molecular Properties

Compound Name7-(1,3,5-trimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol
PubChem CID79331791
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name7-(1,3,5-trimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol
SMILESCc1nn(C)c(C)c1C1(O)C2CCCCC21
InChIInChI=1S/C13H20N2O/c1-8-12(9(2)15(3)14-8)13(16)10-6-4-5-7-11(10)13/h10-11,16H,4-7H2,1-3H3
InChIKeyNCIIQLNKZMWTJF-UHFFFAOYSA-N
XLogP2.04
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(1,3,5-trimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol?
The IUPAC name of 7-(1,3,5-trimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol (CID 79331791) is 7-(1,3,5-trimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol.
What is the SMILES notation for 7-(1,3,5-trimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol?
The canonical SMILES for 7-(1,3,5-trimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol is Cc1nn(C)c(C)c1C1(O)C2CCCCC21.
What is the InChIKey of 7-(1,3,5-trimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol?
The InChIKey is NCIIQLNKZMWTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-8-12(9(2)15(3)14-8)13(16)10-6-4-5-7-11(10)13/h10-11,16H,4-7H2,1-3H3.
What are the key properties of 7-(1,3,5-trimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol?
7-(1,3,5-trimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol has a molecular weight of 220.32 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3,5-trimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol is sourced from PubChem (CID 79331791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).