1-(1-ethylpyrazol-4-yl)-N-methylhexan-1-amine

C12H23N3 — CID 115816258

IUPAC1-(1-ethylpyrazol-4-yl)-N-methylhexan-1-amine
SMILESCCCCCC(NC)c1cnn(CC)c1
InChIInChI=1S/C12H23N3/c1-4-6-7-8-12(13-3)11-9-14-15(5-2)10-11/h9-10,12-13H,4-8H2,1-3H3
InChIKeyWKHMIZMNKAAVGF-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.74
Rot. Bonds7

About 1-(1-ethylpyrazol-4-yl)-N-methylhexan-1-amine

1-(1-ethylpyrazol-4-yl)-N-methylhexan-1-amine (PubChem CID 115816258) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-N-methylhexan-1-amine
PubChem CID115816258
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-(1-ethylpyrazol-4-yl)-N-methylhexan-1-amine
SMILESCCCCCC(NC)c1cnn(CC)c1
InChIInChI=1S/C12H23N3/c1-4-6-7-8-12(13-3)11-9-14-15(5-2)10-11/h9-10,12-13H,4-8H2,1-3H3
InChIKeyWKHMIZMNKAAVGF-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.74
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-ethylpyrazol-4-yl)-N-methyldodecan-1-amine
CID 115816091
N-ethyl-1-(1-ethylpyrazol-4-yl)octan-1-amine
CID 115816351
1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine
CID 115815894
N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79405457
1-(1-ethylpyrazol-4-yl)dodecan-1-ol
CID 115778864
1-(1-ethylpyrazol-4-yl)decan-1-amine
CID 115816084
1-(1-methylpyrazol-4-yl)hexylhydrazine
CID 105228484
1-(1-ethylpyrazol-4-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105108978
1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79412573
1-(1-ethylpyrazol-4-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105109061
[1-(1-ethylpyrazol-4-yl)-4-methoxybutyl]hydrazine
CID 105224988
2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 103168314

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-methylhexan-1-amine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-methylhexan-1-amine (CID 115816258) is 1-(1-ethylpyrazol-4-yl)-N-methylhexan-1-amine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-N-methylhexan-1-amine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-N-methylhexan-1-amine is CCCCCC(NC)c1cnn(CC)c1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-N-methylhexan-1-amine?
The InChIKey is WKHMIZMNKAAVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-6-7-8-12(13-3)11-9-14-15(5-2)10-11/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-N-methylhexan-1-amine?
1-(1-ethylpyrazol-4-yl)-N-methylhexan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-N-methylhexan-1-amine is sourced from PubChem (CID 115816258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).