2-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine

C13H14F3N3 — CID 82305490

IUPAC2-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine
SMILESCc1c(CCN)cnn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3/c1-9-10(6-7-17)8-18-19(9)12-4-2-11(3-5-12)13(14,15)16/h2-5,8H,6-7,17H2,1H3
InChIKeyCGJLANKXEVVNTB-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.70
Rot. Bonds3

About 2-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine

2-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine (PubChem CID 82305490) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine
PubChem CID82305490
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name2-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine
SMILESCc1c(CCN)cnn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3/c1-9-10(6-7-17)8-18-19(9)12-4-2-11(3-5-12)13(14,15)16/h2-5,8H,6-7,17H2,1H3
InChIKeyCGJLANKXEVVNTB-UHFFFAOYSA-N
XLogP2.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 81254826
2-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82291486
2-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]ethanamine
CID 95457156
1-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine
CID 81247880
2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82291485
2-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]ethanol
CID 105498410
5-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 75355917
2-[5-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine
CID 115069321
[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 66437235
4-(4-methoxyphenyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 174394516
2-[1-(4-chloro-2-methylphenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82297303
2-[1-(2,5-dichlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 95473477

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine (CID 82305490) is 2-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine is Cc1c(CCN)cnn1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine?
The InChIKey is CGJLANKXEVVNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-9-10(6-7-17)8-18-19(9)12-4-2-11(3-5-12)13(14,15)16/h2-5,8H,6-7,17H2,1H3.
What are the key properties of 2-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine?
2-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine has a molecular weight of 269.27 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine is sourced from PubChem (CID 82305490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).