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

C12H18N2O — CID 79330950

IUPAC7-(1,5-dimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol
SMILESCc1c(C2(O)C3CCCCC32)cnn1C
InChIInChI=1S/C12H18N2O/c1-8-11(7-13-14(8)2)12(15)9-5-3-4-6-10(9)12/h7,9-10,15H,3-6H2,1-2H3
InChIKeyDKLSWKXDOROFMS-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.74
Rot. Bonds1

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

7-(1,5-dimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol (PubChem CID 79330950) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 7-(1,5-dimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol.

Molecular Properties

Compound Name7-(1,5-dimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol
PubChem CID79330950
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name7-(1,5-dimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol
SMILESCc1c(C2(O)C3CCCCC32)cnn1C
InChIInChI=1S/C12H18N2O/c1-8-11(7-13-14(8)2)12(15)9-5-3-4-6-10(9)12/h7,9-10,15H,3-6H2,1-2H3
InChIKeyDKLSWKXDOROFMS-UHFFFAOYSA-N
XLogP1.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(1,5-dimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol?
The IUPAC name of 7-(1,5-dimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol (CID 79330950) is 7-(1,5-dimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol.
What is the SMILES notation for 7-(1,5-dimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol?
The canonical SMILES for 7-(1,5-dimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol is Cc1c(C2(O)C3CCCCC32)cnn1C.
What is the InChIKey of 7-(1,5-dimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol?
The InChIKey is DKLSWKXDOROFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-11(7-13-14(8)2)12(15)9-5-3-4-6-10(9)12/h7,9-10,15H,3-6H2,1-2H3.
What are the key properties of 7-(1,5-dimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol?
7-(1,5-dimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol has a molecular weight of 206.29 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,5-dimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol is sourced from PubChem (CID 79330950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).