N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]ethanamine

C10H16F3N3 — CID 115518233

IUPACN-methyl-1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]ethanamine
SMILESCNC(C)c1cnn(CCCC(F)(F)F)c1
InChIInChI=1S/C10H16F3N3/c1-8(14-2)9-6-15-16(7-9)5-3-4-10(11,12)13/h6-8,14H,3-5H2,1-2H3
InChIKeyKXCPCOFTJDASFB-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.51
Rot. Bonds5

About N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]ethanamine

N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]ethanamine (PubChem CID 115518233) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]ethanamine
PubChem CID115518233
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC NameN-methyl-1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]ethanamine
SMILESCNC(C)c1cnn(CCCC(F)(F)F)c1
InChIInChI=1S/C10H16F3N3/c1-8(14-2)9-6-15-16(7-9)5-3-4-10(11,12)13/h6-8,14H,3-5H2,1-2H3
InChIKeyKXCPCOFTJDASFB-UHFFFAOYSA-N
XLogP2.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-methoxybutyl)pyrazol-4-yl]-N-methylethanamine
CID 104649601
N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]ethanamine
CID 115515157
4,4,4-trifluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 81343645
1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]-N-methylethanamine
CID 103412839
1-[1-(2-butoxyethyl)pyrazol-4-yl]-N-methylethanamine
CID 62731777
4-bromo-1-(4,4,4-trifluorobutyl)pyrazole
CID 115517822
1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine;hydrochloride
CID 135377882
N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]ethanamine
CID 103014944
1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]butan-2-amine
CID 113327318
N-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanamine
CID 62729600
2-methoxy-N-[[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]methyl]ethanamine
CID 113327305
N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrrol-2-yl]ethanamine
CID 115515148

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]ethanamine (CID 115518233) is N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]ethanamine is CNC(C)c1cnn(CCCC(F)(F)F)c1.
What is the InChIKey of N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]ethanamine?
The InChIKey is KXCPCOFTJDASFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-8(14-2)9-6-15-16(7-9)5-3-4-10(11,12)13/h6-8,14H,3-5H2,1-2H3.
What are the key properties of N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]ethanamine?
N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]ethanamine has a molecular weight of 235.25 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 115518233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).