3,5-bis(methoxymethyl)-1H-pyrazole

C7H12N2O2 — CID 68529485

IUPAC3,5-bis(methoxymethyl)-1H-pyrazole
SMILESCOCc1cc(COC)[nH]n1
InChIInChI=1S/C7H12N2O2/c1-10-4-6-3-7(5-11-2)9-8-6/h3H,4-5H2,1-2H3,(H,8,9)
InChIKeyYXQRXUUIPRWLBQ-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.70
Rot. Bonds4

About 3,5-bis(methoxymethyl)-1H-pyrazole

3,5-bis(methoxymethyl)-1H-pyrazole (PubChem CID 68529485) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 3,5-bis(methoxymethyl)-1H-pyrazole.

Molecular Properties

Compound Name3,5-bis(methoxymethyl)-1H-pyrazole
PubChem CID68529485
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name3,5-bis(methoxymethyl)-1H-pyrazole
SMILESCOCc1cc(COC)[nH]n1
InChIInChI=1S/C7H12N2O2/c1-10-4-6-3-7(5-11-2)9-8-6/h3H,4-5H2,1-2H3,(H,8,9)
InChIKeyYXQRXUUIPRWLBQ-UHFFFAOYSA-N
XLogP0.70
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-bis(methoxymethyl)-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(methoxymethyl)-1H-pyrazole?
The IUPAC name of 3,5-bis(methoxymethyl)-1H-pyrazole (CID 68529485) is 3,5-bis(methoxymethyl)-1H-pyrazole.
What is the SMILES notation for 3,5-bis(methoxymethyl)-1H-pyrazole?
The canonical SMILES for 3,5-bis(methoxymethyl)-1H-pyrazole is COCc1cc(COC)[nH]n1.
What is the InChIKey of 3,5-bis(methoxymethyl)-1H-pyrazole?
The InChIKey is YXQRXUUIPRWLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-10-4-6-3-7(5-11-2)9-8-6/h3H,4-5H2,1-2H3,(H,8,9).
What are the key properties of 3,5-bis(methoxymethyl)-1H-pyrazole?
3,5-bis(methoxymethyl)-1H-pyrazole has a molecular weight of 156.19 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(methoxymethyl)-1H-pyrazole is sourced from PubChem (CID 68529485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).