N-ethyl-3-pyrazol-1-ylbutan-1-amine

C9H17N3 — CID 62446430

IUPACN-ethyl-3-pyrazol-1-ylbutan-1-amine
SMILESCCNCCC(C)n1cccn1
InChIInChI=1S/C9H17N3/c1-3-10-7-5-9(2)12-8-4-6-11-12/h4,6,8-10H,3,5,7H2,1-2H3
InChIKeyQUZDWVRPJDSTAI-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.44
Rot. Bonds5

About N-ethyl-3-pyrazol-1-ylbutan-1-amine

N-ethyl-3-pyrazol-1-ylbutan-1-amine (PubChem CID 62446430) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-ethyl-3-pyrazol-1-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-pyrazol-1-ylbutan-1-amine
PubChem CID62446430
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-ethyl-3-pyrazol-1-ylbutan-1-amine
SMILESCCNCCC(C)n1cccn1
InChIInChI=1S/C9H17N3/c1-3-10-7-5-9(2)12-8-4-6-11-12/h4,6,8-10H,3,5,7H2,1-2H3
InChIKeyQUZDWVRPJDSTAI-UHFFFAOYSA-N
XLogP1.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-pyrazol-1-ylbutan-1-amine?
The IUPAC name of N-ethyl-3-pyrazol-1-ylbutan-1-amine (CID 62446430) is N-ethyl-3-pyrazol-1-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-3-pyrazol-1-ylbutan-1-amine?
The canonical SMILES for N-ethyl-3-pyrazol-1-ylbutan-1-amine is CCNCCC(C)n1cccn1.
What is the InChIKey of N-ethyl-3-pyrazol-1-ylbutan-1-amine?
The InChIKey is QUZDWVRPJDSTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-10-7-5-9(2)12-8-4-6-11-12/h4,6,8-10H,3,5,7H2,1-2H3.
What are the key properties of N-ethyl-3-pyrazol-1-ylbutan-1-amine?
N-ethyl-3-pyrazol-1-ylbutan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-pyrazol-1-ylbutan-1-amine is sourced from PubChem (CID 62446430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).