N-ethyl-N,5-dimethyl-2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]aniline

C20H20F3N3 — CID 140973753

IUPACN-ethyl-N,5-dimethyl-2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
SMILESCCN(C)c1cc(C)ccc1-c1cc(C(F)(F)F)nn1-c1ccccc1
InChIInChI=1S/C20H20F3N3/c1-4-25(3)17-12-14(2)10-11-16(17)18-13-19(20(21,22)23)24-26(18)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3
InChIKeyQJMLOLCOJXJVKP-UHFFFAOYSA-N
MW359.40 g/mol
LogP5.32
Rot. Bonds4

About N-ethyl-N,5-dimethyl-2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]aniline

N-ethyl-N,5-dimethyl-2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]aniline (PubChem CID 140973753) has the molecular formula C20H20F3N3 and a molecular weight of 359.40 g/mol. Its IUPAC name is N-ethyl-N,5-dimethyl-2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]aniline.

Molecular Properties

Compound NameN-ethyl-N,5-dimethyl-2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
PubChem CID140973753
Molecular FormulaC20H20F3N3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC NameN-ethyl-N,5-dimethyl-2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
SMILESCCN(C)c1cc(C)ccc1-c1cc(C(F)(F)F)nn1-c1ccccc1
InChIInChI=1S/C20H20F3N3/c1-4-25(3)17-12-14(2)10-11-16(17)18-13-19(20(21,22)23)24-26(18)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3
InChIKeyQJMLOLCOJXJVKP-UHFFFAOYSA-N
XLogP5.32
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.40
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-[4-(aminomethyl)-2-[ethyl(methyl)amino]phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 174423321
5-ethoxy-1-phenyl-3-(trifluoromethyl)pyrazole
CID 121014903
N,N-dibenzyl-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 56833773
2-methyl-5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
CID 89423560
5-methoxy-1-phenyl-3-(trifluoromethyl)pyrazole
CID 22731897
4-[5-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 54002940
[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 21090692
3-tert-butyl-5-(2-chlorophenyl)-1-phenylpyrazole
CID 58688948
2-[1-phenyl-3-(1,1,2,2-tetrafluoroethyl)pyrazol-5-yl]phenol
CID 1299057
5-(3-ethyl-4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 18338144
N-[5-[4-[ethyl(methyl)amino]-3-fluorophenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67662239
4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;1-phenylbutan-2-one
CID 174437411

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,5-dimethyl-2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]aniline?
The IUPAC name of N-ethyl-N,5-dimethyl-2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]aniline (CID 140973753) is N-ethyl-N,5-dimethyl-2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]aniline.
What is the SMILES notation for N-ethyl-N,5-dimethyl-2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]aniline?
The canonical SMILES for N-ethyl-N,5-dimethyl-2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]aniline is CCN(C)c1cc(C)ccc1-c1cc(C(F)(F)F)nn1-c1ccccc1.
What is the InChIKey of N-ethyl-N,5-dimethyl-2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]aniline?
The InChIKey is QJMLOLCOJXJVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3/c1-4-25(3)17-12-14(2)10-11-16(17)18-13-19(20(21,22)23)24-26(18)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3.
What are the key properties of N-ethyl-N,5-dimethyl-2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]aniline?
N-ethyl-N,5-dimethyl-2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]aniline has a molecular weight of 359.40 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,5-dimethyl-2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]aniline is sourced from PubChem (CID 140973753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).