5-ethyl-3-methoxy-1-(2-methylpropyl)pyrazole

C10H18N2O — CID 123610941

IUPAC5-ethyl-3-methoxy-1-(2-methylpropyl)pyrazole
SMILESCCc1cc(OC)nn1CC(C)C
InChIInChI=1S/C10H18N2O/c1-5-9-6-10(13-4)11-12(9)7-8(2)3/h6,8H,5,7H2,1-4H3
InChIKeyQFPQXTILOJHQIM-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.11
Rot. Bonds4

About 5-ethyl-3-methoxy-1-(2-methylpropyl)pyrazole

5-ethyl-3-methoxy-1-(2-methylpropyl)pyrazole (PubChem CID 123610941) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 5-ethyl-3-methoxy-1-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name5-ethyl-3-methoxy-1-(2-methylpropyl)pyrazole
PubChem CID123610941
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name5-ethyl-3-methoxy-1-(2-methylpropyl)pyrazole
SMILESCCc1cc(OC)nn1CC(C)C
InChIInChI=1S/C10H18N2O/c1-5-9-6-10(13-4)11-12(9)7-8(2)3/h6,8H,5,7H2,1-4H3
InChIKeyQFPQXTILOJHQIM-UHFFFAOYSA-N
XLogP2.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methoxy-1-(2-methylpropyl)pyrazole?
The IUPAC name of 5-ethyl-3-methoxy-1-(2-methylpropyl)pyrazole (CID 123610941) is 5-ethyl-3-methoxy-1-(2-methylpropyl)pyrazole.
What is the SMILES notation for 5-ethyl-3-methoxy-1-(2-methylpropyl)pyrazole?
The canonical SMILES for 5-ethyl-3-methoxy-1-(2-methylpropyl)pyrazole is CCc1cc(OC)nn1CC(C)C.
What is the InChIKey of 5-ethyl-3-methoxy-1-(2-methylpropyl)pyrazole?
The InChIKey is QFPQXTILOJHQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-5-9-6-10(13-4)11-12(9)7-8(2)3/h6,8H,5,7H2,1-4H3.
What are the key properties of 5-ethyl-3-methoxy-1-(2-methylpropyl)pyrazole?
5-ethyl-3-methoxy-1-(2-methylpropyl)pyrazole has a molecular weight of 182.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methoxy-1-(2-methylpropyl)pyrazole is sourced from PubChem (CID 123610941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).