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

C18H35N3 — CID 115816091

IUPAC1-(1-ethylpyrazol-4-yl)-N-methyldodecan-1-amine
SMILESCCCCCCCCCCCC(NC)c1cnn(CC)c1
InChIInChI=1S/C18H35N3/c1-4-6-7-8-9-10-11-12-13-14-18(19-3)17-15-20-21(5-2)16-17/h15-16,18-19H,4-14H2,1-3H3
InChIKeyWQXQAPGTAXTYRQ-UHFFFAOYSA-N
MW293.50 g/mol
LogP5.08
Rot. Bonds13

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

1-(1-ethylpyrazol-4-yl)-N-methyldodecan-1-amine (PubChem CID 115816091) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-N-methyldodecan-1-amine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-N-methyldodecan-1-amine
PubChem CID115816091
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name1-(1-ethylpyrazol-4-yl)-N-methyldodecan-1-amine
SMILESCCCCCCCCCCCC(NC)c1cnn(CC)c1
InChIInChI=1S/C18H35N3/c1-4-6-7-8-9-10-11-12-13-14-18(19-3)17-15-20-21(5-2)16-17/h15-16,18-19H,4-14H2,1-3H3
InChIKeyWQXQAPGTAXTYRQ-UHFFFAOYSA-N
XLogP5.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.50
LogP ≤ 55.08
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-methylhexan-1-amine
CID 115816258
N-ethyl-1-(1-ethylpyrazol-4-yl)octan-1-amine
CID 115816351
1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine
CID 115815894
1-(1-ethylpyrazol-4-yl)dodecan-1-ol
CID 115778864
N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79405457
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
N-methyl-1-pyridin-4-yldecan-1-amine
CID 62600532
1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79412573
N-methyl-1-pyridazin-4-ylnonan-1-amine
CID 105128253
1-(1-ethylpyrazol-4-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105109061

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-methyldodecan-1-amine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-methyldodecan-1-amine (CID 115816091) is 1-(1-ethylpyrazol-4-yl)-N-methyldodecan-1-amine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-N-methyldodecan-1-amine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-N-methyldodecan-1-amine is CCCCCCCCCCCC(NC)c1cnn(CC)c1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-N-methyldodecan-1-amine?
The InChIKey is WQXQAPGTAXTYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-4-6-7-8-9-10-11-12-13-14-18(19-3)17-15-20-21(5-2)16-17/h15-16,18-19H,4-14H2,1-3H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-N-methyldodecan-1-amine?
1-(1-ethylpyrazol-4-yl)-N-methyldodecan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 5.08, 13 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-methyldodecan-1-amine is sourced from PubChem (CID 115816091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).