[1-methyl-3-[2-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanamine

C12H12F3N3O — CID 79484440

IUPAC[1-methyl-3-[2-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanamine
SMILESCn1cc(CN)c(-c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C12H12F3N3O/c1-18-7-8(6-16)11(17-18)9-4-2-3-5-10(9)19-12(13,14)15/h2-5,7H,6,16H2,1H3
InChIKeyODENBOYJTWTUKU-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.44
Rot. Bonds3

About [1-methyl-3-[2-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanamine

[1-methyl-3-[2-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanamine (PubChem CID 79484440) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is [1-methyl-3-[2-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-3-[2-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanamine
PubChem CID79484440
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name[1-methyl-3-[2-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanamine
SMILESCn1cc(CN)c(-c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C12H12F3N3O/c1-18-7-8(6-16)11(17-18)9-4-2-3-5-10(9)19-12(13,14)15/h2-5,7H,6,16H2,1H3
InChIKeyODENBOYJTWTUKU-UHFFFAOYSA-N
XLogP2.44
TPSA53.07 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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanamine
CID 39095734
[2-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 155804267
[3-(2,5-dimethylphenyl)-1-methylpyrazol-4-yl]methanamine
CID 79485518
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
methyl 1-methyl-4-[2-(trifluoromethoxy)phenyl]pyrazole-3-carboxylate
CID 170457610
4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine
CID 118801728
3-prop-2-ynyl-5-[2-(trifluoromethoxy)phenyl]imidazol-4-amine
CID 62224697
[2-fluoro-6-[2-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 134631493
2-[2-chloro-3-[2-(trifluoromethoxy)phenyl]phenyl]ethanamine
CID 119022722
3-ethenyl-1-methyl-4-[2-(trifluoromethoxy)phenyl]pyrrole
CID 142279629
1-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 78920807
[2-(1,3-dimethylpyrazol-4-yl)phenyl]methanamine
CID 66008481

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-[2-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanamine?
The IUPAC name of [1-methyl-3-[2-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanamine (CID 79484440) is [1-methyl-3-[2-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-methyl-3-[2-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanamine?
The canonical SMILES for [1-methyl-3-[2-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanamine is Cn1cc(CN)c(-c2ccccc2OC(F)(F)F)n1.
What is the InChIKey of [1-methyl-3-[2-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanamine?
The InChIKey is ODENBOYJTWTUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-18-7-8(6-16)11(17-18)9-4-2-3-5-10(9)19-12(13,14)15/h2-5,7H,6,16H2,1H3.
What are the key properties of [1-methyl-3-[2-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanamine?
[1-methyl-3-[2-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanamine has a molecular weight of 271.24 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-[2-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 79484440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).