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

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Related Compounds

1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-methylmethanamine;hydrochloride
CID 156589610
5-bromo-3-(methoxymethyl)-1H-pyridazin-6-one
CID 117104948
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylfuran-3-carboxamide
CID 91772290
3-[5-(methoxymethyl)-1H-pyrazol-3-yl]pyridine
CID 156512484
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1H-indazole-3-carboxamide
CID 90653226
(1R)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-3,3-dimethylcyclohexan-1-amine
CID 95226564
4-[5-(methoxymethyl)-1H-pyrazol-3-yl]piperidine
CID 90920394
N'-cycloheptyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]butanediamide
CID 46989113
6-(3-aminocyclobutyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylpyrimidin-4-amine
CID 91763873
2-[2-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70748491
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72840531
3-[2-amino-6-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91791109

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).