6-(1,3,5-trimethylpyrazol-4-yl)bicyclo[3.1.0]hexan-6-ol

C12H18N2O — CID 79332081

IUPAC6-(1,3,5-trimethylpyrazol-4-yl)bicyclo[3.1.0]hexan-6-ol
SMILESCc1nn(C)c(C)c1C1(O)C2CCCC21
InChIInChI=1S/C12H18N2O/c1-7-11(8(2)14(3)13-7)12(15)9-5-4-6-10(9)12/h9-10,15H,4-6H2,1-3H3
InChIKeyUJDPACCMKTYITE-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.65
Rot. Bonds1

About 6-(1,3,5-trimethylpyrazol-4-yl)bicyclo[3.1.0]hexan-6-ol

6-(1,3,5-trimethylpyrazol-4-yl)bicyclo[3.1.0]hexan-6-ol (PubChem CID 79332081) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 6-(1,3,5-trimethylpyrazol-4-yl)bicyclo[3.1.0]hexan-6-ol.

Molecular Properties

Compound Name6-(1,3,5-trimethylpyrazol-4-yl)bicyclo[3.1.0]hexan-6-ol
PubChem CID79332081
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name6-(1,3,5-trimethylpyrazol-4-yl)bicyclo[3.1.0]hexan-6-ol
SMILESCc1nn(C)c(C)c1C1(O)C2CCCC21
InChIInChI=1S/C12H18N2O/c1-7-11(8(2)14(3)13-7)12(15)9-5-4-6-10(9)12/h9-10,15H,4-6H2,1-3H3
InChIKeyUJDPACCMKTYITE-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3,5-trimethylpyrazol-4-yl)bicyclo[3.1.0]hexan-6-ol?
The IUPAC name of 6-(1,3,5-trimethylpyrazol-4-yl)bicyclo[3.1.0]hexan-6-ol (CID 79332081) is 6-(1,3,5-trimethylpyrazol-4-yl)bicyclo[3.1.0]hexan-6-ol.
What is the SMILES notation for 6-(1,3,5-trimethylpyrazol-4-yl)bicyclo[3.1.0]hexan-6-ol?
The canonical SMILES for 6-(1,3,5-trimethylpyrazol-4-yl)bicyclo[3.1.0]hexan-6-ol is Cc1nn(C)c(C)c1C1(O)C2CCCC21.
What is the InChIKey of 6-(1,3,5-trimethylpyrazol-4-yl)bicyclo[3.1.0]hexan-6-ol?
The InChIKey is UJDPACCMKTYITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-7-11(8(2)14(3)13-7)12(15)9-5-4-6-10(9)12/h9-10,15H,4-6H2,1-3H3.
What are the key properties of 6-(1,3,5-trimethylpyrazol-4-yl)bicyclo[3.1.0]hexan-6-ol?
6-(1,3,5-trimethylpyrazol-4-yl)bicyclo[3.1.0]hexan-6-ol has a molecular weight of 206.29 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3,5-trimethylpyrazol-4-yl)bicyclo[3.1.0]hexan-6-ol is sourced from PubChem (CID 79332081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).