4-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine

C13H15F3N4 — CID 115112521

IUPAC4-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCN(C)c1ccc(C(F)(F)F)cc1-c1cnn(C)c1N
InChIInChI=1S/C13H15F3N4/c1-19(2)11-5-4-8(13(14,15)16)6-9(11)10-7-18-20(3)12(10)17/h4-7H,17H2,1-3H3
InChIKeyATZMZSMBWNNHNN-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.75
Rot. Bonds2

About 4-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine

4-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 115112521) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID115112521
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name4-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCN(C)c1ccc(C(F)(F)F)cc1-c1cnn(C)c1N
InChIInChI=1S/C13H15F3N4/c1-19(2)11-5-4-8(13(14,15)16)6-9(11)10-7-18-20(3)12(10)17/h4-7H,17H2,1-3H3
InChIKeyATZMZSMBWNNHNN-UHFFFAOYSA-N
XLogP2.75
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117441268
3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 115112005
4-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-1-methylpyrazol-5-amine
CID 117380822
4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine
CID 115112491
4-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117421303
4-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117490919
4-[3-fluoro-2-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117401092
4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117312373
2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol
CID 117309642
2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-5-(trifluoromethyl)phenol
CID 117471111
4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117473364
1-[1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanamine
CID 105423890

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine (CID 115112521) is 4-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine is CN(C)c1ccc(C(F)(F)F)cc1-c1cnn(C)c1N.
What is the InChIKey of 4-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is ATZMZSMBWNNHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-19(2)11-5-4-8(13(14,15)16)6-9(11)10-7-18-20(3)12(10)17/h4-7H,17H2,1-3H3.
What are the key properties of 4-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine?
4-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 284.29 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 115112521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).