4-ethyl-1-methylpyrazol-5-amine

C6H11N3 — CID 22456644

IUPAC4-ethyl-1-methylpyrazol-5-amine
SMILESCCc1cnn(C)c1N
InChIInChI=1S/C6H11N3/c1-3-5-4-8-9(2)6(5)7/h4H,3,7H2,1-2H3
InChIKeyXZBOXHMZSAQASG-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.56
Rot. Bonds1

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

4-ethyl-1-methylpyrazol-5-amine (PubChem CID 22456644) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-ethyl-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-ethyl-1-methylpyrazol-5-amine
PubChem CID22456644
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name4-ethyl-1-methylpyrazol-5-amine
SMILESCCc1cnn(C)c1N
InChIInChI=1S/C6H11N3/c1-3-5-4-8-9(2)6(5)7/h4H,3,7H2,1-2H3
InChIKeyXZBOXHMZSAQASG-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methylpyrazol-5-amine?
The IUPAC name of 4-ethyl-1-methylpyrazol-5-amine (CID 22456644) is 4-ethyl-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-ethyl-1-methylpyrazol-5-amine?
The canonical SMILES for 4-ethyl-1-methylpyrazol-5-amine is CCc1cnn(C)c1N.
What is the InChIKey of 4-ethyl-1-methylpyrazol-5-amine?
The InChIKey is XZBOXHMZSAQASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-3-5-4-8-9(2)6(5)7/h4H,3,7H2,1-2H3.
What are the key properties of 4-ethyl-1-methylpyrazol-5-amine?
4-ethyl-1-methylpyrazol-5-amine has a molecular weight of 125.17 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methylpyrazol-5-amine is sourced from PubChem (CID 22456644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).