3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine

C13H15F3N4 — CID 115112005

IUPAC3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCN(C)c1ccc(C(F)(F)F)cc1-c1cc(N)n(C)n1
InChIInChI=1S/C13H15F3N4/c1-19(2)11-5-4-8(13(14,15)16)6-9(11)10-7-12(17)20(3)18-10/h4-7H,17H2,1-3H3
InChIKeyCXKLDOWEZHOXRP-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.75
Rot. Bonds2

About 3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine

3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 115112005) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID115112005
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCN(C)c1ccc(C(F)(F)F)cc1-c1cc(N)n(C)n1
InChIInChI=1S/C13H15F3N4/c1-19(2)11-5-4-8(13(14,15)16)6-9(11)10-7-12(17)20(3)18-10/h4-7H,17H2,1-3H3
InChIKeyCXKLDOWEZHOXRP-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-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 115112521
3-[2-(dimethylamino)phenyl]-1-methylpyrazol-5-amine
CID 117308446
3-[4-(dimethylamino)-2,5-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117442658
3-[2-(dimethylamino)-3-fluorophenyl]-1-methylpyrazol-5-amine
CID 115111981
3-[4-chloro-3-(dimethylamino)phenyl]-1-methylpyrazol-5-amine
CID 115111978
1-methyl-3-[5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]pyrazol-5-amine
CID 117482129
3-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117459276
[2-(dimethylamino)-5-(trifluoromethyl)phenyl]boronic acid
CID 91758868
1-methyl-3-[1-methyl-7-(trifluoromethyl)indol-3-yl]pyrazol-5-amine
CID 115108352
3-[6-(1,1-difluoroethyl)-1,3-benzodioxol-5-yl]-1-methylpyrazol-5-amine
CID 117451239
3-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464618
3-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117478815

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine (CID 115112005) is 3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine is CN(C)c1ccc(C(F)(F)F)cc1-c1cc(N)n(C)n1.
What is the InChIKey of 3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is CXKLDOWEZHOXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-19(2)11-5-4-8(13(14,15)16)6-9(11)10-7-12(17)20(3)18-10/h4-7H,17H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine?
3-[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 3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 115112005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).