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

C9H16N2O — CID 118345083

IUPAC3-methoxy-1-methyl-5-(2-methylpropyl)pyrazole
SMILESCOc1cc(CC(C)C)n(C)n1
InChIInChI=1S/C9H16N2O/c1-7(2)5-8-6-9(12-4)10-11(8)3/h6-7H,5H2,1-4H3
InChIKeyUZTCWPNWYSJTEJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.63
Rot. Bonds3

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

3-methoxy-1-methyl-5-(2-methylpropyl)pyrazole (PubChem CID 118345083) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-methoxy-1-methyl-5-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name3-methoxy-1-methyl-5-(2-methylpropyl)pyrazole
PubChem CID118345083
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-methoxy-1-methyl-5-(2-methylpropyl)pyrazole
SMILESCOc1cc(CC(C)C)n(C)n1
InChIInChI=1S/C9H16N2O/c1-7(2)5-8-6-9(12-4)10-11(8)3/h6-7H,5H2,1-4H3
InChIKeyUZTCWPNWYSJTEJ-UHFFFAOYSA-N
XLogP1.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-5-(2-methylpropyl)pyrazole?
The IUPAC name of 3-methoxy-1-methyl-5-(2-methylpropyl)pyrazole (CID 118345083) is 3-methoxy-1-methyl-5-(2-methylpropyl)pyrazole.
What is the SMILES notation for 3-methoxy-1-methyl-5-(2-methylpropyl)pyrazole?
The canonical SMILES for 3-methoxy-1-methyl-5-(2-methylpropyl)pyrazole is COc1cc(CC(C)C)n(C)n1.
What is the InChIKey of 3-methoxy-1-methyl-5-(2-methylpropyl)pyrazole?
The InChIKey is UZTCWPNWYSJTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)5-8-6-9(12-4)10-11(8)3/h6-7H,5H2,1-4H3.
What are the key properties of 3-methoxy-1-methyl-5-(2-methylpropyl)pyrazole?
3-methoxy-1-methyl-5-(2-methylpropyl)pyrazole has a molecular weight of 168.24 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-5-(2-methylpropyl)pyrazole is sourced from PubChem (CID 118345083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).