1-(2-methoxyphenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine

C12H12F3N3O — CID 174716239

IUPAC1-(2-methoxyphenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCNc1cc(C(F)(F)F)nn1-c1ccccc1OC
InChIInChI=1S/C12H12F3N3O/c1-16-11-7-10(12(13,14)15)17-18(11)8-5-3-4-6-9(8)19-2/h3-7,16H,1-2H3
InChIKeyUNGGUJRLRPTQCW-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.94
Rot. Bonds3

About 1-(2-methoxyphenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine

1-(2-methoxyphenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 174716239) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID174716239
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name1-(2-methoxyphenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCNc1cc(C(F)(F)F)nn1-c1ccccc1OC
InChIInChI=1S/C12H12F3N3O/c1-16-11-7-10(12(13,14)15)17-18(11)8-5-3-4-6-9(8)19-2/h3-7,16H,1-2H3
InChIKeyUNGGUJRLRPTQCW-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine (CID 174716239) is 1-(2-methoxyphenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine is CNc1cc(C(F)(F)F)nn1-c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is UNGGUJRLRPTQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-16-11-7-10(12(13,14)15)17-18(11)8-5-3-4-6-9(8)19-2/h3-7,16H,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine?
1-(2-methoxyphenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 271.24 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 174716239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).