3,5-diethoxy-4-methyl-1H-pyrazole

C8H14N2O2 — CID 68981384

IUPAC3,5-diethoxy-4-methyl-1H-pyrazole
SMILESCCOc1n[nH]c(OCC)c1C
InChIInChI=1S/C8H14N2O2/c1-4-11-7-6(3)8(10-9-7)12-5-2/h4-5H2,1-3H3,(H,9,10)
InChIKeyNTIBFHNJRXFTPC-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.52
Rot. Bonds4

About 3,5-diethoxy-4-methyl-1H-pyrazole

3,5-diethoxy-4-methyl-1H-pyrazole (PubChem CID 68981384) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3,5-diethoxy-4-methyl-1H-pyrazole.

Molecular Properties

Compound Name3,5-diethoxy-4-methyl-1H-pyrazole
PubChem CID68981384
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3,5-diethoxy-4-methyl-1H-pyrazole
SMILESCCOc1n[nH]c(OCC)c1C
InChIInChI=1S/C8H14N2O2/c1-4-11-7-6(3)8(10-9-7)12-5-2/h4-5H2,1-3H3,(H,9,10)
InChIKeyNTIBFHNJRXFTPC-UHFFFAOYSA-N
XLogP1.52
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine
CID 89419138
4,5-dibromo-3-ethoxy-1H-pyridazin-6-one
CID 2749209
1,2,3,4,5-pentaethoxy-6-methylbenzene
CID 173439159
6-bromo-4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine
CID 133058836
6-ethoxy-2-methylpyrimidine-4,5-diamine
CID 82455416
3-ethoxy-4-methyl-6-phenyl-1H-pyrazolo[3,4-d]pyrimidine
CID 76847028
4-(2-bromophenoxy)-3-ethoxy-5-methyl-1H-pyrazole
CID 118430461
3-ethoxy-5-methyl-1H-pyrazole;hydrochloride
CID 53398899
6-ethoxy-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
CID 66327056
4-ethoxy-5-methyl-6-piperidin-4-yloxypyrimidine
CID 66327607
4-(2,2-dimethylpiperazin-1-yl)-6-ethoxy-5-methylpyrimidine
CID 66324931
4-(2-chloropropyl)-6-ethoxy-5-methylpyrimidine
CID 66327001

Frequently Asked Questions

What is the IUPAC name of 3,5-diethoxy-4-methyl-1H-pyrazole?
The IUPAC name of 3,5-diethoxy-4-methyl-1H-pyrazole (CID 68981384) is 3,5-diethoxy-4-methyl-1H-pyrazole.
What is the SMILES notation for 3,5-diethoxy-4-methyl-1H-pyrazole?
The canonical SMILES for 3,5-diethoxy-4-methyl-1H-pyrazole is CCOc1n[nH]c(OCC)c1C.
What is the InChIKey of 3,5-diethoxy-4-methyl-1H-pyrazole?
The InChIKey is NTIBFHNJRXFTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-4-11-7-6(3)8(10-9-7)12-5-2/h4-5H2,1-3H3,(H,9,10).
What are the key properties of 3,5-diethoxy-4-methyl-1H-pyrazole?
3,5-diethoxy-4-methyl-1H-pyrazole has a molecular weight of 170.21 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethoxy-4-methyl-1H-pyrazole is sourced from PubChem (CID 68981384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).