1-butyl-5-ethylpyrazol-4-amine

C9H17N3 — CID 66440830

IUPAC1-butyl-5-ethylpyrazol-4-amine
SMILESCCCCn1ncc(N)c1CC
InChIInChI=1S/C9H17N3/c1-3-5-6-12-9(4-2)8(10)7-11-12/h7H,3-6,10H2,1-2H3
InChIKeyJXOKILRPDAZKJW-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.83
Rot. Bonds4

About 1-butyl-5-ethylpyrazol-4-amine

1-butyl-5-ethylpyrazol-4-amine (PubChem CID 66440830) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-butyl-5-ethylpyrazol-4-amine.

Molecular Properties

Compound Name1-butyl-5-ethylpyrazol-4-amine
PubChem CID66440830
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-butyl-5-ethylpyrazol-4-amine
SMILESCCCCn1ncc(N)c1CC
InChIInChI=1S/C9H17N3/c1-3-5-6-12-9(4-2)8(10)7-11-12/h7H,3-6,10H2,1-2H3
InChIKeyJXOKILRPDAZKJW-UHFFFAOYSA-N
XLogP1.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-ethylpyrazol-4-amine?
The IUPAC name of 1-butyl-5-ethylpyrazol-4-amine (CID 66440830) is 1-butyl-5-ethylpyrazol-4-amine.
What is the SMILES notation for 1-butyl-5-ethylpyrazol-4-amine?
The canonical SMILES for 1-butyl-5-ethylpyrazol-4-amine is CCCCn1ncc(N)c1CC.
What is the InChIKey of 1-butyl-5-ethylpyrazol-4-amine?
The InChIKey is JXOKILRPDAZKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-5-6-12-9(4-2)8(10)7-11-12/h7H,3-6,10H2,1-2H3.
What are the key properties of 1-butyl-5-ethylpyrazol-4-amine?
1-butyl-5-ethylpyrazol-4-amine has a molecular weight of 167.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-ethylpyrazol-4-amine is sourced from PubChem (CID 66440830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).