1-(3-ethyl-1-methylpyrazol-5-yl)undecan-1-amine

C17H33N3 — CID 105138150

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)undecan-1-amine
SMILESCCCCCCCCCCC(N)c1cc(CC)nn1C
InChIInChI=1S/C17H33N3/c1-4-6-7-8-9-10-11-12-13-16(18)17-14-15(5-2)19-20(17)3/h14,16H,4-13,18H2,1-3H3
InChIKeyUKEYKDOVVNCWFF-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.51
Rot. Bonds11

About 1-(3-ethyl-1-methylpyrazol-5-yl)undecan-1-amine

1-(3-ethyl-1-methylpyrazol-5-yl)undecan-1-amine (PubChem CID 105138150) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)undecan-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)undecan-1-amine
PubChem CID105138150
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)undecan-1-amine
SMILESCCCCCCCCCCC(N)c1cc(CC)nn1C
InChIInChI=1S/C17H33N3/c1-4-6-7-8-9-10-11-12-13-16(18)17-14-15(5-2)19-20(17)3/h14,16H,4-13,18H2,1-3H3
InChIKeyUKEYKDOVVNCWFF-UHFFFAOYSA-N
XLogP4.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.51
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-(3-ethyl-1-methylpyrazol-5-yl)-5-methylhexan-1-amine
CID 105177018
1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol
CID 105084923
1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine
CID 105126222
1-(3-ethyl-1-methylpyrazol-5-yl)octylhydrazine
CID 105293484
1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-en-1-amine
CID 105153055
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
CID 105127778
1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine
CID 104999148
1-(3-ethyl-1-methylpyrazol-5-yl)hex-4-yn-1-amine
CID 105181413
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-1-amine
CID 105083062
1-(3-ethyl-1-methylpyrazol-5-yl)decan-2-ol
CID 115813546
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105171468
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)nonan-2-amine
CID 104999295

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)undecan-1-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)undecan-1-amine (CID 105138150) is 1-(3-ethyl-1-methylpyrazol-5-yl)undecan-1-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)undecan-1-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)undecan-1-amine is CCCCCCCCCCC(N)c1cc(CC)nn1C.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)undecan-1-amine?
The InChIKey is UKEYKDOVVNCWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-4-6-7-8-9-10-11-12-13-16(18)17-14-15(5-2)19-20(17)3/h14,16H,4-13,18H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)undecan-1-amine?
1-(3-ethyl-1-methylpyrazol-5-yl)undecan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.51, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)undecan-1-amine is sourced from PubChem (CID 105138150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).