1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine

C16H31N3 — CID 105127778

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
SMILESCCCCCCCCC(NC)c1cc(CC)nn1C
InChIInChI=1S/C16H31N3/c1-5-7-8-9-10-11-12-15(17-3)16-13-14(6-2)18-19(16)4/h13,15,17H,5-12H2,1-4H3
InChIKeyANFHPKJHEPQTPK-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.99
Rot. Bonds10

About 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine

1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine (PubChem CID 105127778) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
PubChem CID105127778
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
SMILESCCCCCCCCC(NC)c1cc(CC)nn1C
InChIInChI=1S/C16H31N3/c1-5-7-8-9-10-11-12-15(17-3)16-13-14(6-2)18-19(16)4/h13,15,17H,5-12H2,1-4H3
InChIKeyANFHPKJHEPQTPK-UHFFFAOYSA-N
XLogP3.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
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)octylhydrazine
CID 105293484
1-(2,5-dimethylpyrazol-3-yl)-N-methylheptan-1-amine
CID 105126365
3-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylheptan-1-amine
CID 105102750
1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol
CID 105084923
1-(3-ethyl-1-methylpyrazol-5-yl)undecan-1-amine
CID 105138150
1-(2,5-dimethylpyrazol-3-yl)-N-methylpentan-1-amine
CID 105125646
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-2-propoxyethanamine
CID 105165261
1-(1,3-diethylpyrazol-5-yl)-N-ethylnonan-1-amine
CID 105127926
2-(2,6-dimethylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 105174518
N-methyl-1-(3-methylimidazol-4-yl)decan-1-amine
CID 82902583
N-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine
CID 105138251
1-(2,5-dimethylpyrazol-3-yl)octylhydrazine
CID 105293599

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine (CID 105127778) is 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine is CCCCCCCCC(NC)c1cc(CC)nn1C.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine?
The InChIKey is ANFHPKJHEPQTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-5-7-8-9-10-11-12-15(17-3)16-13-14(6-2)18-19(16)4/h13,15,17H,5-12H2,1-4H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine?
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 3.99, 10 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)-N-methylnonan-1-amine is sourced from PubChem (CID 105127778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).