N-methyl-4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]aniline

C18H16F3N3 — CID 18338147

IUPACN-methyl-4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]aniline
SMILESCNc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(C)cc2)cc1
InChIInChI=1S/C18H16F3N3/c1-12-3-9-15(10-4-12)24-16(11-17(23-24)18(19,20)21)13-5-7-14(22-2)8-6-13/h3-11,22H,1-2H3
InChIKeyJMIUILCWJNEPLH-UHFFFAOYSA-N
MW331.34 g/mol
LogP4.91
Rot. Bonds3

About N-methyl-4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]aniline

N-methyl-4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]aniline (PubChem CID 18338147) has the molecular formula C18H16F3N3 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-methyl-4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]aniline.

Molecular Properties

Compound NameN-methyl-4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]aniline
PubChem CID18338147
Molecular FormulaC18H16F3N3
Molecular Weight331.34 g/mol
Exact Mass331.13
IUPAC NameN-methyl-4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]aniline
SMILESCNc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(C)cc2)cc1
InChIInChI=1S/C18H16F3N3/c1-12-3-9-15(10-4-12)24-16(11-17(23-24)18(19,20)21)13-5-7-14(22-2)8-6-13/h3-11,22H,1-2H3
InChIKeyJMIUILCWJNEPLH-UHFFFAOYSA-N
XLogP4.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Difenzoquat
CID 39425
(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanamine
CID 818484
2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)acetonitrile
CID 477596
1,5-Diphenyl-3-methyl-1H-pyrazole
CID 5191592
1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole
CID 10424186
1,3,5-Triphenylpyrazole
CID 626614
4-Ethyl-3-methyl-1,5-diphenyl-1H-pyrazole
CID 5327637
1,3-Diphenyl-1H-pyrazole-5-carbonitrile
CID 542822
5-(4-Amino-phenyl)-2-p-tolyl-2H-pyrazol-3-ylamine
CID 786192
[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 4961800
4-[5-(4-Methylamino-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10135355
1,3-Diphenyl-1,4,5,6,7,8-hexahydro-cycloheptapyrazole
CID 15453872

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]aniline?
The IUPAC name of N-methyl-4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]aniline (CID 18338147) is N-methyl-4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]aniline.
What is the SMILES notation for N-methyl-4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]aniline?
The canonical SMILES for N-methyl-4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]aniline is CNc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(C)cc2)cc1.
What is the InChIKey of N-methyl-4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]aniline?
The InChIKey is JMIUILCWJNEPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3/c1-12-3-9-15(10-4-12)24-16(11-17(23-24)18(19,20)21)13-5-7-14(22-2)8-6-13/h3-11,22H,1-2H3.
What are the key properties of N-methyl-4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]aniline?
N-methyl-4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]aniline has a molecular weight of 331.34 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]aniline is sourced from PubChem (CID 18338147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).