1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyloctan-1-amine

C15H28ClN3 — CID 105040888

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyloctan-1-amine
SMILESCCCCCCCC(NCC)c1c(Cl)cnn1CC
InChIInChI=1S/C15H28ClN3/c1-4-7-8-9-10-11-14(17-5-2)15-13(16)12-18-19(15)6-3/h12,14,17H,4-11H2,1-3H3
InChIKeyDCPVSXOQXHMNHI-UHFFFAOYSA-N
MW285.86 g/mol
LogP4.57
Rot. Bonds10

About 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyloctan-1-amine

1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyloctan-1-amine (PubChem CID 105040888) has the molecular formula C15H28ClN3 and a molecular weight of 285.86 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyloctan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyloctan-1-amine
PubChem CID105040888
Molecular FormulaC15H28ClN3
Molecular Weight285.86 g/mol
Exact Mass285.20
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyloctan-1-amine
SMILESCCCCCCCC(NCC)c1c(Cl)cnn1CC
InChIInChI=1S/C15H28ClN3/c1-4-7-8-9-10-11-14(17-5-2)15-13(16)12-18-19(15)6-3/h12,14,17H,4-11H2,1-3H3
InChIKeyDCPVSXOQXHMNHI-UHFFFAOYSA-N
XLogP4.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 54.57
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

1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethylnonan-1-amine
CID 105040884
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethylheptan-1-amine
CID 105054478
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylhexan-1-amine
CID 105046403
1-(4-chloro-1-ethylpyrazol-5-yl)dodecan-1-ol
CID 115834843
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-propylsulfanylethanamine
CID 114653588
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105183226
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-4-thiophen-2-ylbutan-1-amine
CID 105183296
1-(4-chloro-1-propylpyrazol-5-yl)hexylhydrazine
CID 105337103
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylnonan-1-amine
CID 105054424
1-(4-chloro-1-ethylpyrazol-5-yl)-3-propoxy-N-propylpropan-1-amine
CID 105183176
N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)octan-1-amine
CID 105048951
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105183136

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyloctan-1-amine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyloctan-1-amine (CID 105040888) is 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyloctan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyloctan-1-amine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyloctan-1-amine is CCCCCCCC(NCC)c1c(Cl)cnn1CC.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyloctan-1-amine?
The InChIKey is DCPVSXOQXHMNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClN3/c1-4-7-8-9-10-11-14(17-5-2)15-13(16)12-18-19(15)6-3/h12,14,17H,4-11H2,1-3H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyloctan-1-amine?
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyloctan-1-amine has a molecular weight of 285.86 g/mol, XLogP of 4.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyloctan-1-amine is sourced from PubChem (CID 105040888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).