1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]ethanamine

C15H29N3 — CID 83169070

IUPAC1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]ethanamine
SMILESCCc1nn(CCCC(C)C)c(CC)c1C(C)N
InChIInChI=1S/C15H29N3/c1-6-13-15(12(5)16)14(7-2)18(17-13)10-8-9-11(3)4/h11-12H,6-10,16H2,1-5H3
InChIKeyVIKTZZILYTZQSX-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.46
Rot. Bonds7

About 1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]ethanamine

1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]ethanamine (PubChem CID 83169070) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]ethanamine
PubChem CID83169070
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]ethanamine
SMILESCCc1nn(CCCC(C)C)c(CC)c1C(C)N
InChIInChI=1S/C15H29N3/c1-6-13-15(12(5)16)14(7-2)18(17-13)10-8-9-11(3)4/h11-12H,6-10,16H2,1-5H3
InChIKeyVIKTZZILYTZQSX-UHFFFAOYSA-N
XLogP3.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanamine
CID 82697450
1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]ethanamine
CID 82696919
1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]ethanamine
CID 113437167
[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]methanamine
CID 83168953
1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]butan-2-amine
CID 83167967
1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanol
CID 82698165
1-butyl-4-(1-chloroethyl)-3,5-diethylpyrazole
CID 82699491
1-[1-(2-tert-butylsulfonylethyl)-3,5-diethylpyrazol-4-yl]ethanamine
CID 106730619
1-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylethanamine
CID 82697714
1-[3,5-diethyl-1-(2-methoxyethyl)pyrazol-4-yl]-N-methylethanamine
CID 82698134
1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82697460
1-[1-(2-butoxyethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82698129

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]ethanamine (CID 83169070) is 1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]ethanamine is CCc1nn(CCCC(C)C)c(CC)c1C(C)N.
What is the InChIKey of 1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]ethanamine?
The InChIKey is VIKTZZILYTZQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-6-13-15(12(5)16)14(7-2)18(17-13)10-8-9-11(3)4/h11-12H,6-10,16H2,1-5H3.
What are the key properties of 1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]ethanamine?
1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]ethanamine has a molecular weight of 251.42 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 83169070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).