1,3-dimethoxypyrazole

C5H8N2O2 — CID 91414202

IUPAC1,3-dimethoxypyrazole
SMILESCOc1ccn(OC)n1
InChIInChI=1S/C5H8N2O2/c1-8-5-3-4-7(6-5)9-2/h3-4H,1-2H3
InChIKeyPAGZWXITXGCQRK-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.05
Rot. Bonds2

About 1,3-dimethoxypyrazole

1,3-dimethoxypyrazole (PubChem CID 91414202) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 1,3-dimethoxypyrazole.

Molecular Properties

Compound Name1,3-dimethoxypyrazole
PubChem CID91414202
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name1,3-dimethoxypyrazole
SMILESCOc1ccn(OC)n1
InChIInChI=1S/C5H8N2O2/c1-8-5-3-4-7(6-5)9-2/h3-4H,1-2H3
InChIKeyPAGZWXITXGCQRK-UHFFFAOYSA-N
XLogP-0.05
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-1H-pyrazole
CID 17852300
5-Methoxy-1H-pyrazol-1-amine
CID 20276052
3-Methoxypyrazol-1-amine
CID 86205723
1-Fluoro-3-(2-methylpropoxy)pyrazole
CID 121273344
5-Methoxy-1-methyl-1H-pyrazole
CID 18622355
3-(2,2-Dimethylpropoxy)-1-sulfanylpyrazole
CID 130223354
3-[(2R)-butan-2-yl]oxy-1-sulfanylpyrazole
CID 130223398
(3-Methoxypyrazol-1-yl)-dimethyl-sulfanyl-lambda4-sulfane
CID 139320036
Ethane;5-methoxy-1-methylpyrazole
CID 142043210
trimethyl(1H-pyrazol-5-yloxymethyl)germane
CID 146801021
5-Methoxy-1-sulfanylpyrazole
CID 149330764
5-(trideuteriomethoxy)-1H-pyrazole
CID 152646870

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxypyrazole?
The IUPAC name of 1,3-dimethoxypyrazole (CID 91414202) is 1,3-dimethoxypyrazole.
What is the SMILES notation for 1,3-dimethoxypyrazole?
The canonical SMILES for 1,3-dimethoxypyrazole is COc1ccn(OC)n1.
What is the InChIKey of 1,3-dimethoxypyrazole?
The InChIKey is PAGZWXITXGCQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-8-5-3-4-7(6-5)9-2/h3-4H,1-2H3.
What are the key properties of 1,3-dimethoxypyrazole?
1,3-dimethoxypyrazole has a molecular weight of 128.13 g/mol, XLogP of -0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxypyrazole is sourced from PubChem (CID 91414202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).