1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine

C12H12F3N3O — CID 117215894

IUPAC1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
SMILESCn1nc(COc2ccccc2C(F)(F)F)cc1N
InChIInChI=1S/C12H12F3N3O/c1-18-11(16)6-8(17-18)7-19-10-5-3-2-4-9(10)12(13,14)15/h2-6H,7,16H2,1H3
InChIKeyBAGONBTWLMQQKZ-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.60
Rot. Bonds3

About 1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine

1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine (PubChem CID 117215894) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
PubChem CID117215894
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
SMILESCn1nc(COc2ccccc2C(F)(F)F)cc1N
InChIInChI=1S/C12H12F3N3O/c1-18-11(16)6-8(17-18)7-19-10-5-3-2-4-9(10)12(13,14)15/h2-6H,7,16H2,1H3
InChIKeyBAGONBTWLMQQKZ-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
CID 63889622
1-methyl-5-[[2-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid
CID 117217154
3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine
CID 82083972
5-[[2-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-amine
CID 117215893
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
2-[[2-(trifluoromethyl)phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117257862
4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline
CID 43443841
1-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine
CID 63316113
1-propan-2-yl-4-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
CID 117216709
3-[(2-methylphenoxy)methyl]-1-propan-2-ylpyrazol-5-amine
CID 117216038
[4-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 159339368
3-(aminomethyl)-1-methylpyrazol-5-amine
CID 82502392

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine?
The IUPAC name of 1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine (CID 117215894) is 1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine?
The canonical SMILES for 1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine is Cn1nc(COc2ccccc2C(F)(F)F)cc1N.
What is the InChIKey of 1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine?
The InChIKey is BAGONBTWLMQQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-18-11(16)6-8(17-18)7-19-10-5-3-2-4-9(10)12(13,14)15/h2-6H,7,16H2,1H3.
What are the key properties of 1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine?
1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine has a molecular weight of 271.24 g/mol, XLogP of 2.60, 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-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine is sourced from PubChem (CID 117215894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).