1-[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]ethanamine

C14H16F3N3 — CID 82527601

IUPAC1-[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]ethanamine
SMILESCc1ccc(-n2ncc(C(C)N)c2C(F)(F)F)cc1C
InChIInChI=1S/C14H16F3N3/c1-8-4-5-11(6-9(8)2)20-13(14(15,16)17)12(7-19-20)10(3)18/h4-7,10H,18H2,1-3H3
InChIKeyUMSGQYHYHZQFPZ-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.53
Rot. Bonds2

About 1-[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]ethanamine

1-[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]ethanamine (PubChem CID 82527601) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 1-[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]ethanamine
PubChem CID82527601
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name1-[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]ethanamine
SMILESCc1ccc(-n2ncc(C(C)N)c2C(F)(F)F)cc1C
InChIInChI=1S/C14H16F3N3/c1-8-4-5-11(6-9(8)2)20-13(14(15,16)17)12(7-19-20)10(3)18/h4-7,10H,18H2,1-3H3
InChIKeyUMSGQYHYHZQFPZ-UHFFFAOYSA-N
XLogP3.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 82527606
[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanethiol
CID 82527607
1-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine
CID 81247880
1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine
CID 105477117
1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine;hydrochloride
CID 154896679
1-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]ethanamine
CID 43209034
1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 82192765
1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine
CID 114703383
(1R)-1-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine
CID 59544188
2-(3,4-dimethylphenyl)triazole
CID 90292657
4-[4-[(1R)-1-aminoethyl]-5-methylpyrazol-1-yl]benzonitrile
CID 93270263
1-(2,5-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-amine
CID 66441025

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]ethanamine (CID 82527601) is 1-[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]ethanamine is Cc1ccc(-n2ncc(C(C)N)c2C(F)(F)F)cc1C.
What is the InChIKey of 1-[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]ethanamine?
The InChIKey is UMSGQYHYHZQFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-8-4-5-11(6-9(8)2)20-13(14(15,16)17)12(7-19-20)10(3)18/h4-7,10H,18H2,1-3H3.
What are the key properties of 1-[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]ethanamine?
1-[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]ethanamine has a molecular weight of 283.30 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 82527601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).