5-ethyl-N-hept-6-en-3-yl-4-methyl-1H-pyrazol-3-amine

C13H23N3 — CID 115921330

IUPAC5-ethyl-N-hept-6-en-3-yl-4-methyl-1H-pyrazol-3-amine
SMILESC=CCCC(CC)Nc1n[nH]c(CC)c1C
InChIInChI=1S/C13H23N3/c1-5-8-9-11(6-2)14-13-10(4)12(7-3)15-16-13/h5,11H,1,6-9H2,2-4H3,(H2,14,15,16)
InChIKeyKIKJXILIZQWQLL-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.44
Rot. Bonds7

About 5-ethyl-N-hept-6-en-3-yl-4-methyl-1H-pyrazol-3-amine

5-ethyl-N-hept-6-en-3-yl-4-methyl-1H-pyrazol-3-amine (PubChem CID 115921330) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 5-ethyl-N-hept-6-en-3-yl-4-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-ethyl-N-hept-6-en-3-yl-4-methyl-1H-pyrazol-3-amine
PubChem CID115921330
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name5-ethyl-N-hept-6-en-3-yl-4-methyl-1H-pyrazol-3-amine
SMILESC=CCCC(CC)Nc1n[nH]c(CC)c1C
InChIInChI=1S/C13H23N3/c1-5-8-9-11(6-2)14-13-10(4)12(7-3)15-16-13/h5,11H,1,6-9H2,2-4H3,(H2,14,15,16)
InChIKeyKIKJXILIZQWQLL-UHFFFAOYSA-N
XLogP3.44
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-hept-6-en-3-yl-4-methyl-1H-pyrazol-3-amine?
The IUPAC name of 5-ethyl-N-hept-6-en-3-yl-4-methyl-1H-pyrazol-3-amine (CID 115921330) is 5-ethyl-N-hept-6-en-3-yl-4-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-ethyl-N-hept-6-en-3-yl-4-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-ethyl-N-hept-6-en-3-yl-4-methyl-1H-pyrazol-3-amine is C=CCCC(CC)Nc1n[nH]c(CC)c1C.
What is the InChIKey of 5-ethyl-N-hept-6-en-3-yl-4-methyl-1H-pyrazol-3-amine?
The InChIKey is KIKJXILIZQWQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-8-9-11(6-2)14-13-10(4)12(7-3)15-16-13/h5,11H,1,6-9H2,2-4H3,(H2,14,15,16).
What are the key properties of 5-ethyl-N-hept-6-en-3-yl-4-methyl-1H-pyrazol-3-amine?
5-ethyl-N-hept-6-en-3-yl-4-methyl-1H-pyrazol-3-amine has a molecular weight of 221.35 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-hept-6-en-3-yl-4-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 115921330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).