4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline

C12H12F3N3O — CID 139700271

IUPAC4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline
SMILESCc1ccc(N)c(Oc2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C12H12F3N3O/c1-7-3-4-8(16)9(5-7)19-11-6-10(12(13,14)15)17-18(11)2/h3-6H,16H2,1-2H3
InChIKeyAYMMYCDHTJKUQP-UHFFFAOYSA-N
MW271.24 g/mol
LogP3.12
Rot. Bonds2

About 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline

4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline (PubChem CID 139700271) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline.

Molecular Properties

Compound Name4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline
PubChem CID139700271
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline
SMILESCc1ccc(N)c(Oc2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C12H12F3N3O/c1-7-3-4-8(16)9(5-7)19-11-6-10(12(13,14)15)17-18(11)2/h3-6H,16H2,1-2H3
InChIKeyAYMMYCDHTJKUQP-UHFFFAOYSA-N
XLogP3.12
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carbonitrile
CID 3794537
2-[1-Methyl-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]morpholine
CID 110095039
1-benzyl-3-(difluoromethyl)-5-ethoxy-1H-pyrazole
CID 75454665
2-[(1,3-dimethyl-1H-pyrazol-4-yl)methoxy]aniline
CID 19626907
N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47071361
3-Fluoro-5-(1-methyl-3-trifluoromethylpyrazol-5-yloxy)benzonitrile
CID 12090222
(NE)-N-[[1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-yl]methylidene]hydroxylamine
CID 13960185
N-methyl-3-(2-amino-4-trifluoromethylphenyloxy)-5-methylpyrazole-1-carboxamide
CID 17862386
N-[4-methyl-2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyphenyl]propanamide
CID 19067677
N-[4-methyl-2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyphenyl]cyclopropanecarboxamide
CID 19067678
2-methyl-N-[4-methyl-2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyphenyl]propanamide
CID 19067683
4-Methoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline
CID 19067685

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline?
The IUPAC name of 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline (CID 139700271) is 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline.
What is the SMILES notation for 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline?
The canonical SMILES for 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline is Cc1ccc(N)c(Oc2cc(C(F)(F)F)nn2C)c1.
What is the InChIKey of 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline?
The InChIKey is AYMMYCDHTJKUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-7-3-4-8(16)9(5-7)19-11-6-10(12(13,14)15)17-18(11)2/h3-6H,16H2,1-2H3.
What are the key properties of 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline?
4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline has a molecular weight of 271.24 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyaniline is sourced from PubChem (CID 139700271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).