5-N-(2,3-dimethoxypropyl)-3-ethyl-1-methylpyrazole-4,5-diamine

C11H22N4O2 — CID 114099110

IUPAC5-N-(2,3-dimethoxypropyl)-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(NCC(COC)OC)c1N
InChIInChI=1S/C11H22N4O2/c1-5-9-10(12)11(15(2)14-9)13-6-8(17-4)7-16-3/h8,13H,5-7,12H2,1-4H3
InChIKeyFONGWGMABOEGDQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.64
Rot. Bonds7

About 5-N-(2,3-dimethoxypropyl)-3-ethyl-1-methylpyrazole-4,5-diamine

5-N-(2,3-dimethoxypropyl)-3-ethyl-1-methylpyrazole-4,5-diamine (PubChem CID 114099110) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-N-(2,3-dimethoxypropyl)-3-ethyl-1-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2,3-dimethoxypropyl)-3-ethyl-1-methylpyrazole-4,5-diamine
PubChem CID114099110
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name5-N-(2,3-dimethoxypropyl)-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(NCC(COC)OC)c1N
InChIInChI=1S/C11H22N4O2/c1-5-9-10(12)11(15(2)14-9)13-6-8(17-4)7-16-3/h8,13H,5-7,12H2,1-4H3
InChIKeyFONGWGMABOEGDQ-UHFFFAOYSA-N
XLogP0.64
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2,3-dimethoxypropyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2,3-dimethoxypropyl)-3-ethyl-1-methylpyrazole-4,5-diamine (CID 114099110) is 5-N-(2,3-dimethoxypropyl)-3-ethyl-1-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2,3-dimethoxypropyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2,3-dimethoxypropyl)-3-ethyl-1-methylpyrazole-4,5-diamine is CCc1nn(C)c(NCC(COC)OC)c1N.
What is the InChIKey of 5-N-(2,3-dimethoxypropyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The InChIKey is FONGWGMABOEGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-5-9-10(12)11(15(2)14-9)13-6-8(17-4)7-16-3/h8,13H,5-7,12H2,1-4H3.
What are the key properties of 5-N-(2,3-dimethoxypropyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
5-N-(2,3-dimethoxypropyl)-3-ethyl-1-methylpyrazole-4,5-diamine has a molecular weight of 242.32 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,3-dimethoxypropyl)-3-ethyl-1-methylpyrazole-4,5-diamine is sourced from PubChem (CID 114099110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).