[1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine

C12H12F3N3O — CID 66440778

IUPAC[1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
SMILESCOc1ccccc1-n1ncc(CN)c1C(F)(F)F
InChIInChI=1S/C12H12F3N3O/c1-19-10-5-3-2-4-9(10)18-11(12(13,14)15)8(6-16)7-17-18/h2-5,7H,6,16H2,1H3
InChIKeySXWHMVYSTFKWOM-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.36
Rot. Bonds3

About [1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine

[1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine (PubChem CID 66440778) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is [1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
PubChem CID66440778
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name[1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
SMILESCOc1ccccc1-n1ncc(CN)c1C(F)(F)F
InChIInChI=1S/C12H12F3N3O/c1-19-10-5-3-2-4-9(10)18-11(12(13,14)15)8(6-16)7-17-18/h2-5,7H,6,16H2,1H3
InChIKeySXWHMVYSTFKWOM-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine?
The IUPAC name of [1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine (CID 66440778) is [1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine is COc1ccccc1-n1ncc(CN)c1C(F)(F)F.
What is the InChIKey of [1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine?
The InChIKey is SXWHMVYSTFKWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-19-10-5-3-2-4-9(10)18-11(12(13,14)15)8(6-16)7-17-18/h2-5,7H,6,16H2,1H3.
What are the key properties of [1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine?
[1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine has a molecular weight of 271.24 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 66440778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).