1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine

C16H31N3 — CID 115815894

IUPAC1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine
SMILESCCCCCCCC(NCCC)c1cnn(CC)c1
InChIInChI=1S/C16H31N3/c1-4-7-8-9-10-11-16(17-12-5-2)15-13-18-19(6-3)14-15/h13-14,16-17H,4-12H2,1-3H3
InChIKeyGWQPHASXNPVHTH-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.30
Rot. Bonds11

About 1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine

1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine (PubChem CID 115815894) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine
PubChem CID115815894
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine
SMILESCCCCCCCC(NCCC)c1cnn(CC)c1
InChIInChI=1S/C16H31N3/c1-4-7-8-9-10-11-16(17-12-5-2)15-13-18-19(6-3)14-15/h13-14,16-17H,4-12H2,1-3H3
InChIKeyGWQPHASXNPVHTH-UHFFFAOYSA-N
XLogP4.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.30
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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Related Compounds

N-ethyl-1-(1-ethylpyrazol-4-yl)octan-1-amine
CID 115816351
1-(1-ethylpyrazol-4-yl)-N-methyldodecan-1-amine
CID 115816091
N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79405457
1-(1-ethylpyrazol-4-yl)-N-methylhexan-1-amine
CID 115816258
1-(1-ethylpyrazol-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79964065
1-(1-ethylpyrazol-4-yl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105108864
1-(1-ethylpyrazol-4-yl)dodecan-1-ol
CID 115778864
1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine
CID 115816153
1-(1-ethylpyrazol-4-yl)-N-propyldecan-2-amine
CID 115822163
2-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylhexan-1-amine
CID 115815634
1-(1-ethylpyrazol-4-yl)decan-1-amine
CID 115816084
N-[1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 65135434

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine (CID 115815894) is 1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine is CCCCCCCC(NCCC)c1cnn(CC)c1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine?
The InChIKey is GWQPHASXNPVHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-4-7-8-9-10-11-16(17-12-5-2)15-13-18-19(6-3)14-15/h13-14,16-17H,4-12H2,1-3H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine?
1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 4.30, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine is sourced from PubChem (CID 115815894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).