3-ethyl-5-(3-methoxy-6-bicyclo[3.1.0]hexanyl)-1-propan-2-ylpyrazole

C15H24N2O — CID 123185213

IUPAC3-ethyl-5-(3-methoxy-6-bicyclo[3.1.0]hexanyl)-1-propan-2-ylpyrazole
SMILESCCc1cc(C2C3CC(OC)CC32)n(C(C)C)n1
InChIInChI=1S/C15H24N2O/c1-5-10-6-14(17(16-10)9(2)3)15-12-7-11(18-4)8-13(12)15/h6,9,11-13,15H,5,7-8H2,1-4H3
InChIKeyDDPKLLBOBZLRNV-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.16
Rot. Bonds4

About 3-ethyl-5-(3-methoxy-6-bicyclo[3.1.0]hexanyl)-1-propan-2-ylpyrazole

3-ethyl-5-(3-methoxy-6-bicyclo[3.1.0]hexanyl)-1-propan-2-ylpyrazole (PubChem CID 123185213) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-ethyl-5-(3-methoxy-6-bicyclo[3.1.0]hexanyl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-ethyl-5-(3-methoxy-6-bicyclo[3.1.0]hexanyl)-1-propan-2-ylpyrazole
PubChem CID123185213
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-ethyl-5-(3-methoxy-6-bicyclo[3.1.0]hexanyl)-1-propan-2-ylpyrazole
SMILESCCc1cc(C2C3CC(OC)CC32)n(C(C)C)n1
InChIInChI=1S/C15H24N2O/c1-5-10-6-14(17(16-10)9(2)3)15-12-7-11(18-4)8-13(12)15/h6,9,11-13,15H,5,7-8H2,1-4H3
InChIKeyDDPKLLBOBZLRNV-UHFFFAOYSA-N
XLogP3.16
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(3-methoxy-6-bicyclo[3.1.0]hexanyl)-1-propan-2-ylpyrazole?
The IUPAC name of 3-ethyl-5-(3-methoxy-6-bicyclo[3.1.0]hexanyl)-1-propan-2-ylpyrazole (CID 123185213) is 3-ethyl-5-(3-methoxy-6-bicyclo[3.1.0]hexanyl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 3-ethyl-5-(3-methoxy-6-bicyclo[3.1.0]hexanyl)-1-propan-2-ylpyrazole?
The canonical SMILES for 3-ethyl-5-(3-methoxy-6-bicyclo[3.1.0]hexanyl)-1-propan-2-ylpyrazole is CCc1cc(C2C3CC(OC)CC32)n(C(C)C)n1.
What is the InChIKey of 3-ethyl-5-(3-methoxy-6-bicyclo[3.1.0]hexanyl)-1-propan-2-ylpyrazole?
The InChIKey is DDPKLLBOBZLRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-10-6-14(17(16-10)9(2)3)15-12-7-11(18-4)8-13(12)15/h6,9,11-13,15H,5,7-8H2,1-4H3.
What are the key properties of 3-ethyl-5-(3-methoxy-6-bicyclo[3.1.0]hexanyl)-1-propan-2-ylpyrazole?
3-ethyl-5-(3-methoxy-6-bicyclo[3.1.0]hexanyl)-1-propan-2-ylpyrazole has a molecular weight of 248.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(3-methoxy-6-bicyclo[3.1.0]hexanyl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 123185213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).