1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]butan-2-amine

C17H33N3 — CID 83167967

IUPAC1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]butan-2-amine
SMILESCCc1nn(CCCC(C)C)c(CC)c1CC(N)CC
InChIInChI=1S/C17H33N3/c1-6-14(18)12-15-16(7-2)19-20(17(15)8-3)11-9-10-13(4)5/h13-14H,6-12,18H2,1-5H3
InChIKeyDUFLITUJFYNJJL-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.72
Rot. Bonds9

About 1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]butan-2-amine

1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]butan-2-amine (PubChem CID 83167967) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]butan-2-amine
PubChem CID83167967
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]butan-2-amine
SMILESCCc1nn(CCCC(C)C)c(CC)c1CC(N)CC
InChIInChI=1S/C17H33N3/c1-6-14(18)12-15-16(7-2)19-20(17(15)8-3)11-9-10-13(4)5/h13-14H,6-12,18H2,1-5H3
InChIKeyDUFLITUJFYNJJL-UHFFFAOYSA-N
XLogP3.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]methanamine
CID 83168953
1-[3,5-diethyl-1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine
CID 82699508
1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]ethanamine
CID 83169070
1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]propan-2-amine
CID 82698914
1-[1-(cyclohexylmethyl)-3,5-diethylpyrazol-4-yl]butan-2-amine
CID 82699804
1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)butan-2-amine
CID 82700380
N-[[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82698283
1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanamine
CID 82697450
1-butyl-4-(chloromethyl)-3,5-diethylpyrazole
CID 82700348
1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanol
CID 82698165
1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]ethanamine
CID 82696919
1-[3,5-dimethyl-1-(3-methylsulfanylpropyl)pyrazol-4-yl]butan-2-amine
CID 113474357

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]butan-2-amine?
The IUPAC name of 1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]butan-2-amine (CID 83167967) is 1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]butan-2-amine.
What is the SMILES notation for 1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]butan-2-amine?
The canonical SMILES for 1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]butan-2-amine is CCc1nn(CCCC(C)C)c(CC)c1CC(N)CC.
What is the InChIKey of 1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]butan-2-amine?
The InChIKey is DUFLITUJFYNJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-6-14(18)12-15-16(7-2)19-20(17(15)8-3)11-9-10-13(4)5/h13-14H,6-12,18H2,1-5H3.
What are the key properties of 1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]butan-2-amine?
1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]butan-2-amine has a molecular weight of 279.47 g/mol, XLogP of 3.72, 9 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]butan-2-amine is sourced from PubChem (CID 83167967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).