1-ethyl-4-methylpyrazol-5-amine

C6H11N3 — CID 22456658

IUPAC1-ethyl-4-methylpyrazol-5-amine
SMILESCCn1ncc(C)c1N
InChIInChI=1S/C6H11N3/c1-3-9-6(7)5(2)4-8-9/h4H,3,7H2,1-2H3
InChIKeyXHWLCRAUUAFQTD-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.79
Rot. Bonds1

About 1-ethyl-4-methylpyrazol-5-amine

1-ethyl-4-methylpyrazol-5-amine (PubChem CID 22456658) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-ethyl-4-methylpyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-4-methylpyrazol-5-amine
PubChem CID22456658
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name1-ethyl-4-methylpyrazol-5-amine
SMILESCCn1ncc(C)c1N
InChIInChI=1S/C6H11N3/c1-3-9-6(7)5(2)4-8-9/h4H,3,7H2,1-2H3
InChIKeyXHWLCRAUUAFQTD-UHFFFAOYSA-N
XLogP0.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylpyrazol-5-amine?
The IUPAC name of 1-ethyl-4-methylpyrazol-5-amine (CID 22456658) is 1-ethyl-4-methylpyrazol-5-amine.
What is the SMILES notation for 1-ethyl-4-methylpyrazol-5-amine?
The canonical SMILES for 1-ethyl-4-methylpyrazol-5-amine is CCn1ncc(C)c1N.
What is the InChIKey of 1-ethyl-4-methylpyrazol-5-amine?
The InChIKey is XHWLCRAUUAFQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-3-9-6(7)5(2)4-8-9/h4H,3,7H2,1-2H3.
What are the key properties of 1-ethyl-4-methylpyrazol-5-amine?
1-ethyl-4-methylpyrazol-5-amine has a molecular weight of 125.17 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylpyrazol-5-amine is sourced from PubChem (CID 22456658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).