4-ethenyl-N-ethyl-N,1-dimethylpyrazol-5-amine

C9H15N3 — CID 139562231

IUPAC4-ethenyl-N-ethyl-N,1-dimethylpyrazol-5-amine
SMILESC=Cc1cnn(C)c1N(C)CC
InChIInChI=1S/C9H15N3/c1-5-8-7-10-12(4)9(8)11(3)6-2/h5,7H,1,6H2,2-4H3
InChIKeyRJIKMXYKQPFIEP-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.52
Rot. Bonds3

About 4-ethenyl-N-ethyl-N,1-dimethylpyrazol-5-amine

4-ethenyl-N-ethyl-N,1-dimethylpyrazol-5-amine (PubChem CID 139562231) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-ethenyl-N-ethyl-N,1-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-ethenyl-N-ethyl-N,1-dimethylpyrazol-5-amine
PubChem CID139562231
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4-ethenyl-N-ethyl-N,1-dimethylpyrazol-5-amine
SMILESC=Cc1cnn(C)c1N(C)CC
InChIInChI=1S/C9H15N3/c1-5-8-7-10-12(4)9(8)11(3)6-2/h5,7H,1,6H2,2-4H3
InChIKeyRJIKMXYKQPFIEP-UHFFFAOYSA-N
XLogP1.52
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N-ethyl-N,1-dimethylpyrazol-5-amine?
The IUPAC name of 4-ethenyl-N-ethyl-N,1-dimethylpyrazol-5-amine (CID 139562231) is 4-ethenyl-N-ethyl-N,1-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-ethenyl-N-ethyl-N,1-dimethylpyrazol-5-amine?
The canonical SMILES for 4-ethenyl-N-ethyl-N,1-dimethylpyrazol-5-amine is C=Cc1cnn(C)c1N(C)CC.
What is the InChIKey of 4-ethenyl-N-ethyl-N,1-dimethylpyrazol-5-amine?
The InChIKey is RJIKMXYKQPFIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-5-8-7-10-12(4)9(8)11(3)6-2/h5,7H,1,6H2,2-4H3.
What are the key properties of 4-ethenyl-N-ethyl-N,1-dimethylpyrazol-5-amine?
4-ethenyl-N-ethyl-N,1-dimethylpyrazol-5-amine has a molecular weight of 165.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N-ethyl-N,1-dimethylpyrazol-5-amine is sourced from PubChem (CID 139562231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).