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

C15H26F3N3 — CID 82699508

IUPAC1-[3,5-diethyl-1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine
SMILESCCc1nn(CCCC(F)(F)F)c(CC)c1CC(N)CC
InChIInChI=1S/C15H26F3N3/c1-4-11(19)10-12-13(5-2)20-21(14(12)6-3)9-7-8-15(16,17)18/h11H,4-10,19H2,1-3H3
InChIKeyYEEIDNWQBHSESG-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.63
Rot. Bonds8

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

1-[3,5-diethyl-1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine (PubChem CID 82699508) has the molecular formula C15H26F3N3 and a molecular weight of 305.39 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[3,5-diethyl-1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine
PubChem CID82699508
Molecular FormulaC15H26F3N3
Molecular Weight305.39 g/mol
Exact Mass305.21
IUPAC Name1-[3,5-diethyl-1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine
SMILESCCc1nn(CCCC(F)(F)F)c(CC)c1CC(N)CC
InChIInChI=1S/C15H26F3N3/c1-4-11(19)10-12-13(5-2)20-21(14(12)6-3)9-7-8-15(16,17)18/h11H,4-10,19H2,1-3H3
InChIKeyYEEIDNWQBHSESG-UHFFFAOYSA-N
XLogP3.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]butan-2-amine
CID 83167967
N-[[3,5-diethyl-1-(4,4,4-trifluorobutyl)pyrazol-4-yl]methyl]ethanamine
CID 82697239
1-[3,5-diethyl-1-(4,4,4-trifluorobutyl)pyrazol-4-yl]-N-methylmethanamine
CID 82697614
[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol
CID 82696973
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-[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanol
CID 82697397
N-[[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methyl]propan-1-amine
CID 82697464
1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)butan-2-amine
CID 82700380
1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butan-2-amine
CID 62730420
[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]methanamine
CID 83168953
2-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]ethanamine
CID 116618024

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine?
The IUPAC name of 1-[3,5-diethyl-1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine (CID 82699508) is 1-[3,5-diethyl-1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine.
What is the SMILES notation for 1-[3,5-diethyl-1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine?
The canonical SMILES for 1-[3,5-diethyl-1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine is CCc1nn(CCCC(F)(F)F)c(CC)c1CC(N)CC.
What is the InChIKey of 1-[3,5-diethyl-1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine?
The InChIKey is YEEIDNWQBHSESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3/c1-4-11(19)10-12-13(5-2)20-21(14(12)6-3)9-7-8-15(16,17)18/h11H,4-10,19H2,1-3H3.
What are the key properties of 1-[3,5-diethyl-1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine?
1-[3,5-diethyl-1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine has a molecular weight of 305.39 g/mol, XLogP of 3.63, 8 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-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine is sourced from PubChem (CID 82699508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).