3,5-dimethyl-1-(2-methylpropoxymethyl)pyrazole

C10H18N2O — CID 56688391

IUPAC3,5-dimethyl-1-(2-methylpropoxymethyl)pyrazole
SMILESCc1cc(C)n(COCC(C)C)n1
InChIInChI=1S/C10H18N2O/c1-8(2)6-13-7-12-10(4)5-9(3)11-12/h5,8H,6-7H2,1-4H3
InChIKeyIRUADRCNCPPBEL-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.13
Rot. Bonds4

About 3,5-dimethyl-1-(2-methylpropoxymethyl)pyrazole

3,5-dimethyl-1-(2-methylpropoxymethyl)pyrazole (PubChem CID 56688391) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-methylpropoxymethyl)pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-methylpropoxymethyl)pyrazole
PubChem CID56688391
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3,5-dimethyl-1-(2-methylpropoxymethyl)pyrazole
SMILESCc1cc(C)n(COCC(C)C)n1
InChIInChI=1S/C10H18N2O/c1-8(2)6-13-7-12-10(4)5-9(3)11-12/h5,8H,6-7H2,1-4H3
InChIKeyIRUADRCNCPPBEL-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-methylpropoxymethyl)pyrazole?
The IUPAC name of 3,5-dimethyl-1-(2-methylpropoxymethyl)pyrazole (CID 56688391) is 3,5-dimethyl-1-(2-methylpropoxymethyl)pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-(2-methylpropoxymethyl)pyrazole?
The canonical SMILES for 3,5-dimethyl-1-(2-methylpropoxymethyl)pyrazole is Cc1cc(C)n(COCC(C)C)n1.
What is the InChIKey of 3,5-dimethyl-1-(2-methylpropoxymethyl)pyrazole?
The InChIKey is IRUADRCNCPPBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(2)6-13-7-12-10(4)5-9(3)11-12/h5,8H,6-7H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-(2-methylpropoxymethyl)pyrazole?
3,5-dimethyl-1-(2-methylpropoxymethyl)pyrazole has a molecular weight of 182.27 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2-methylpropoxymethyl)pyrazole is sourced from PubChem (CID 56688391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).