1-(1,3-diethylpyrazol-5-yl)-N-ethylnonan-1-amine

C18H35N3 — CID 105127926

IUPAC1-(1,3-diethylpyrazol-5-yl)-N-ethylnonan-1-amine
SMILESCCCCCCCCC(NCC)c1cc(CC)nn1CC
InChIInChI=1S/C18H35N3/c1-5-9-10-11-12-13-14-17(19-7-3)18-15-16(6-2)20-21(18)8-4/h15,17,19H,5-14H2,1-4H3
InChIKeyDGVDRVJRDURCMK-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.87
Rot. Bonds12

About 1-(1,3-diethylpyrazol-5-yl)-N-ethylnonan-1-amine

1-(1,3-diethylpyrazol-5-yl)-N-ethylnonan-1-amine (PubChem CID 105127926) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-N-ethylnonan-1-amine.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-N-ethylnonan-1-amine
PubChem CID105127926
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-N-ethylnonan-1-amine
SMILESCCCCCCCCC(NCC)c1cc(CC)nn1CC
InChIInChI=1S/C18H35N3/c1-5-9-10-11-12-13-14-17(19-7-3)18-15-16(6-2)20-21(18)8-4/h15,17,19H,5-14H2,1-4H3
InChIKeyDGVDRVJRDURCMK-UHFFFAOYSA-N
XLogP4.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.87
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-(1,3-diethylpyrazol-5-yl)-N-ethylpent-4-yn-1-amine
CID 105149069
1-(1,3-diethylpyrazol-5-yl)-5-methyl-N-propylhexan-1-amine
CID 105177082
1-(1,3-diethylpyrazol-5-yl)-N-ethylbut-3-en-1-amine
CID 105108095
1-(1,3-diethylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105174359
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
CID 105127778
1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine
CID 105125896
1-(3-ethyl-1-methylpyrazol-5-yl)octylhydrazine
CID 105293484
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 105151896
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030515
N-ethyl-1-(2-ethylpyrazol-3-yl)pentan-1-amine
CID 79404699
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethylnonan-1-amine
CID 105040884
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyloctan-1-amine
CID 105040888

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N-ethylnonan-1-amine?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N-ethylnonan-1-amine (CID 105127926) is 1-(1,3-diethylpyrazol-5-yl)-N-ethylnonan-1-amine.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-N-ethylnonan-1-amine?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-N-ethylnonan-1-amine is CCCCCCCCC(NCC)c1cc(CC)nn1CC.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-N-ethylnonan-1-amine?
The InChIKey is DGVDRVJRDURCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-5-9-10-11-12-13-14-17(19-7-3)18-15-16(6-2)20-21(18)8-4/h15,17,19H,5-14H2,1-4H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-N-ethylnonan-1-amine?
1-(1,3-diethylpyrazol-5-yl)-N-ethylnonan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 4.87, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-N-ethylnonan-1-amine is sourced from PubChem (CID 105127926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).