2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine

C12H12F3N3O — CID 59241608

IUPAC2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine
SMILESCc1cc(Nc2ccc(OC(F)(F)F)cc2)n(C)n1
InChIInChI=1S/C12H12F3N3O/c1-8-7-11(18(2)17-8)16-9-3-5-10(6-4-9)19-12(13,14)15/h3-7,16H,1-2H3
InChIKeyMJCAHFVTGSSLPL-UHFFFAOYSA-N
MW271.24 g/mol
LogP3.37
Rot. Bonds3

About 2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine

2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine (PubChem CID 59241608) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine
PubChem CID59241608
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine
SMILESCc1cc(Nc2ccc(OC(F)(F)F)cc2)n(C)n1
InChIInChI=1S/C12H12F3N3O/c1-8-7-11(18(2)17-8)16-9-3-5-10(6-4-9)19-12(13,14)15/h3-7,16H,1-2H3
InChIKeyMJCAHFVTGSSLPL-UHFFFAOYSA-N
XLogP3.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19481229
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
1,3-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazole
CID 134543652
3-ethyl-1-methyl-5-N-[4-(trifluoromethoxy)phenyl]pyrazole-4,5-diamine
CID 66015577
1-methyl-N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477475
3-methyl-N-[4-(trifluoromethoxy)phenyl]triazolo[4,5-d]pyrimidin-7-amine
CID 7659052
ethane;N-methyl-4-(trifluoromethoxy)aniline
CID 143206092
N-fluoro-4-(trifluoromethoxy)aniline
CID 142989818
methyl 3-(2,6-dimethylphenyl)-2-methyl-7-[4-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 137481220
5-(2,5-dimethylpyrazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzimidazol-2-amine
CID 130363841
1-benzyl-3-methyl-6-[4-(trifluoromethoxy)anilino]pyrimidine-2,4-dione
CID 3656678
1,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
CID 22203300

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine?
The IUPAC name of 2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine (CID 59241608) is 2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine.
What is the SMILES notation for 2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine?
The canonical SMILES for 2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine is Cc1cc(Nc2ccc(OC(F)(F)F)cc2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine?
The InChIKey is MJCAHFVTGSSLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-8-7-11(18(2)17-8)16-9-3-5-10(6-4-9)19-12(13,14)15/h3-7,16H,1-2H3.
What are the key properties of 2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine?
2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine has a molecular weight of 271.24 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine is sourced from PubChem (CID 59241608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).