1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine

C17H33N3 — CID 104999148

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine
SMILESCCCCCCCCCC(N)Cc1cc(CC)nn1C
InChIInChI=1S/C17H33N3/c1-4-6-7-8-9-10-11-12-15(18)13-17-14-16(5-2)19-20(17)3/h14-15H,4-13,18H2,1-3H3
InChIKeyZZXSJOIQMQGJBX-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.99
Rot. Bonds11

About 1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine

1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine (PubChem CID 104999148) 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-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine
PubChem CID104999148
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine
SMILESCCCCCCCCCC(N)Cc1cc(CC)nn1C
InChIInChI=1S/C17H33N3/c1-4-6-7-8-9-10-11-12-15(18)13-17-14-16(5-2)19-20(17)3/h14-15H,4-13,18H2,1-3H3
InChIKeyZZXSJOIQMQGJBX-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
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)decan-2-ol
CID 115813546
1-(3-ethyl-1-methylpyrazol-5-yl)-5,5-dimethylhexan-2-amine
CID 114211654
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-amine
CID 115649859
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)nonan-2-amine
CID 104999295
1-(1,3-diethylpyrazol-5-yl)hexan-2-amine
CID 79411779
1-(3-ethyl-1-methylpyrazol-5-yl)undecan-1-amine
CID 105138150
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine
CID 79405999
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxyhexan-2-amine
CID 116718430
1-(3-ethyl-1-methylpyrazol-5-yl)-4-(3-methylphenyl)butan-2-amine
CID 105160252
1-(3-ethyl-1-methylpyrazol-5-yl)-4-(furan-2-yl)butan-2-amine
CID 105160147
1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol
CID 105084923
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 96758713

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine (CID 104999148) is 1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine is CCCCCCCCCC(N)Cc1cc(CC)nn1C.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine?
The InChIKey is ZZXSJOIQMQGJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-4-6-7-8-9-10-11-12-15(18)13-17-14-16(5-2)19-20(17)3/h14-15H,4-13,18H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine?
1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine has a molecular weight of 279.47 g/mol, XLogP of 3.99, 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-2-amine is sourced from PubChem (CID 104999148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).