(3-ethyl-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine

C14H16F3N3 — CID 105145412

IUPAC(3-ethyl-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
SMILESCCc1cc(C(N)c2ccccc2C(F)(F)F)n(C)n1
InChIInChI=1S/C14H16F3N3/c1-3-9-8-12(20(2)19-9)13(18)10-6-4-5-7-11(10)14(15,16)17/h4-8,13H,3,18H2,1-2H3
InChIKeyKZNKEPQKRGHLGE-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.05
Rot. Bonds3

About (3-ethyl-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine

(3-ethyl-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 105145412) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID105145412
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name(3-ethyl-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
SMILESCCc1cc(C(N)c2ccccc2C(F)(F)F)n(C)n1
InChIInChI=1S/C14H16F3N3/c1-3-9-8-12(20(2)19-9)13(18)10-6-4-5-7-11(10)14(15,16)17/h4-8,13H,3,18H2,1-2H3
InChIKeyKZNKEPQKRGHLGE-UHFFFAOYSA-N
XLogP3.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 105176507
(2,5-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine
CID 105145725
[2-fluoro-3-(trifluoromethyl)phenyl]-(3-methyltriazol-4-yl)methanamine
CID 114688634
(4-ethylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 43197636
(4-ethylthiadiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 105145381
(3-ethyl-1-methylpyrazol-5-yl)-(3-propylphenyl)methanamine
CID 105187884
(3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanamine
CID 105166440
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-1-amine
CID 105083062
2-(3,5-diethylpyrazol-1-yl)-3-(trifluoromethyl)pyridine
CID 82699986
1-[2-(trifluoromethyl)phenyl]decan-1-amine
CID 115831210
2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 107064971
6-ethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 176501471

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine (CID 105145412) is (3-ethyl-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (3-ethyl-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine is CCc1cc(C(N)c2ccccc2C(F)(F)F)n(C)n1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is KZNKEPQKRGHLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-3-9-8-12(20(2)19-9)13(18)10-6-4-5-7-11(10)14(15,16)17/h4-8,13H,3,18H2,1-2H3.
What are the key properties of (3-ethyl-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine?
(3-ethyl-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 283.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 105145412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).