3-(methoxymethyl)-1-(3-methylbutyl)pyrazole

C10H18N2O — CID 66016329

IUPAC3-(methoxymethyl)-1-(3-methylbutyl)pyrazole
SMILESCOCc1ccn(CCC(C)C)n1
InChIInChI=1S/C10H18N2O/c1-9(2)4-6-12-7-5-10(11-12)8-13-3/h5,7,9H,4,6,8H2,1-3H3
InChIKeyHZNPQUAWUYPONY-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.08
Rot. Bonds5

About 3-(methoxymethyl)-1-(3-methylbutyl)pyrazole

3-(methoxymethyl)-1-(3-methylbutyl)pyrazole (PubChem CID 66016329) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-(3-methylbutyl)pyrazole.

Molecular Properties

Compound Name3-(methoxymethyl)-1-(3-methylbutyl)pyrazole
PubChem CID66016329
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-(methoxymethyl)-1-(3-methylbutyl)pyrazole
SMILESCOCc1ccn(CCC(C)C)n1
InChIInChI=1S/C10H18N2O/c1-9(2)4-6-12-7-5-10(11-12)8-13-3/h5,7,9H,4,6,8H2,1-3H3
InChIKeyHZNPQUAWUYPONY-UHFFFAOYSA-N
XLogP2.08
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-(3-methylbutyl)pyrazole?
The IUPAC name of 3-(methoxymethyl)-1-(3-methylbutyl)pyrazole (CID 66016329) is 3-(methoxymethyl)-1-(3-methylbutyl)pyrazole.
What is the SMILES notation for 3-(methoxymethyl)-1-(3-methylbutyl)pyrazole?
The canonical SMILES for 3-(methoxymethyl)-1-(3-methylbutyl)pyrazole is COCc1ccn(CCC(C)C)n1.
What is the InChIKey of 3-(methoxymethyl)-1-(3-methylbutyl)pyrazole?
The InChIKey is HZNPQUAWUYPONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(2)4-6-12-7-5-10(11-12)8-13-3/h5,7,9H,4,6,8H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-1-(3-methylbutyl)pyrazole?
3-(methoxymethyl)-1-(3-methylbutyl)pyrazole has a molecular weight of 182.27 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-(3-methylbutyl)pyrazole is sourced from PubChem (CID 66016329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).