3-ethoxy-1-methylpyrazol-4-amine

C6H11N3O — CID 66509584

IUPAC3-ethoxy-1-methylpyrazol-4-amine
SMILESCCOc1nn(C)cc1N
InChIInChI=1S/C6H11N3O/c1-3-10-6-5(7)4-9(2)8-6/h4H,3,7H2,1-2H3
InChIKeyVQNRBFXKOWOEAC-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.40
Rot. Bonds2

About 3-ethoxy-1-methylpyrazol-4-amine

3-ethoxy-1-methylpyrazol-4-amine (PubChem CID 66509584) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-ethoxy-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-ethoxy-1-methylpyrazol-4-amine
PubChem CID66509584
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name3-ethoxy-1-methylpyrazol-4-amine
SMILESCCOc1nn(C)cc1N
InChIInChI=1S/C6H11N3O/c1-3-10-6-5(7)4-9(2)8-6/h4H,3,7H2,1-2H3
InChIKeyVQNRBFXKOWOEAC-UHFFFAOYSA-N
XLogP0.40
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-methylpyrazol-4-amine?
The IUPAC name of 3-ethoxy-1-methylpyrazol-4-amine (CID 66509584) is 3-ethoxy-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-ethoxy-1-methylpyrazol-4-amine?
The canonical SMILES for 3-ethoxy-1-methylpyrazol-4-amine is CCOc1nn(C)cc1N.
What is the InChIKey of 3-ethoxy-1-methylpyrazol-4-amine?
The InChIKey is VQNRBFXKOWOEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-3-10-6-5(7)4-9(2)8-6/h4H,3,7H2,1-2H3.
What are the key properties of 3-ethoxy-1-methylpyrazol-4-amine?
3-ethoxy-1-methylpyrazol-4-amine has a molecular weight of 141.17 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-methylpyrazol-4-amine is sourced from PubChem (CID 66509584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).