1-(2,5-dimethylpyrazol-3-yl)-N-methylundecan-2-amine

C17H33N3 — CID 104996240

IUPAC1-(2,5-dimethylpyrazol-3-yl)-N-methylundecan-2-amine
SMILESCCCCCCCCCC(Cc1cc(C)nn1C)NC
InChIInChI=1S/C17H33N3/c1-5-6-7-8-9-10-11-12-16(18-3)14-17-13-15(2)19-20(17)4/h13,16,18H,5-12,14H2,1-4H3
InChIKeyABSYTFDOAZYGJZ-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.00
Rot. Bonds11

About 1-(2,5-dimethylpyrazol-3-yl)-N-methylundecan-2-amine

1-(2,5-dimethylpyrazol-3-yl)-N-methylundecan-2-amine (PubChem CID 104996240) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-N-methylundecan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-N-methylundecan-2-amine
PubChem CID104996240
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-N-methylundecan-2-amine
SMILESCCCCCCCCCC(Cc1cc(C)nn1C)NC
InChIInChI=1S/C17H33N3/c1-5-6-7-8-9-10-11-12-16(18-3)14-17-13-15(2)19-20(17)4/h13,16,18H,5-12,14H2,1-4H3
InChIKeyABSYTFDOAZYGJZ-UHFFFAOYSA-N
XLogP4.00
TPSA29.85 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 ≤ 54.00
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-(2-ethyl-5-methylpyrazol-3-yl)-N-methylundecan-2-amine
CID 105002717
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105158616
1-(2,5-dimethylpyrazol-3-yl)-N-methylheptan-1-amine
CID 105126365
N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine
CID 105127854
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)nonan-2-amine
CID 104999295
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105158645
[1-(2,5-dimethylpyrazol-3-yl)-5-methoxypentan-2-yl]hydrazine
CID 105225066
1-(2,5-dimethylpyrazol-3-yl)octylhydrazine
CID 105293599
1-(2,5-dimethylpyrazol-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79964323
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 66064619
1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine
CID 105126222
N-methylheptadecan-9-amine;hydrochloride
CID 175813537

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-methylundecan-2-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-methylundecan-2-amine (CID 104996240) is 1-(2,5-dimethylpyrazol-3-yl)-N-methylundecan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-N-methylundecan-2-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-N-methylundecan-2-amine is CCCCCCCCCC(Cc1cc(C)nn1C)NC.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-N-methylundecan-2-amine?
The InChIKey is ABSYTFDOAZYGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-5-6-7-8-9-10-11-12-16(18-3)14-17-13-15(2)19-20(17)4/h13,16,18H,5-12,14H2,1-4H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-N-methylundecan-2-amine?
1-(2,5-dimethylpyrazol-3-yl)-N-methylundecan-2-amine has a molecular weight of 279.47 g/mol, XLogP of 4.00, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-N-methylundecan-2-amine is sourced from PubChem (CID 104996240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).