5-(4-methylanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

C17H14F3N3O — CID 166901199

IUPAC5-(4-methylanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESCc1ccc(Nc2ccc(-c3cc(C(F)(F)F)[nH]n3)c(O)c2)cc1
InChIInChI=1S/C17H14F3N3O/c1-10-2-4-11(5-3-10)21-12-6-7-13(15(24)8-12)14-9-16(23-22-14)17(18,19)20/h2-9,21,24H,1H3,(H,22,23)
InChIKeyMQUOOHRXXMCAMS-UHFFFAOYSA-N
MW333.31 g/mol
LogP4.85
Rot. Bonds3

About 5-(4-methylanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

5-(4-methylanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (PubChem CID 166901199) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is 5-(4-methylanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name5-(4-methylanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
PubChem CID166901199
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name5-(4-methylanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESCc1ccc(Nc2ccc(-c3cc(C(F)(F)F)[nH]n3)c(O)c2)cc1
InChIInChI=1S/C17H14F3N3O/c1-10-2-4-11(5-3-10)21-12-6-7-13(15(24)8-12)14-9-16(23-22-14)17(18,19)20/h2-9,21,24H,1H3,(H,22,23)
InChIKeyMQUOOHRXXMCAMS-UHFFFAOYSA-N
XLogP4.85
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Vrt-532
CID 781239
2-[5-(2-Fluorophenyl)-1H-pyrazol-3-yl]phenol
CID 136226476
2-[5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazol-3-yl]phenol
CID 762936
2-(5-(4-fluorophenyl)-1H-pyrazol-3-yl)phenol
CID 759784
2-[5-(4-Fluoro-phenyl)-1H-pyrazol-3-yl]-5-methyl-phenol
CID 781217
2-(5-phenyl-1H-pyrazol-3-yl)phenol
CID 781202
4-methyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 690720
2-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]phenol
CID 644655
2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
CID 775981
2-(5-(3-fluorophenyl)-1H-pyrazol-3-yl)-5-methylphenol
CID 775998
2-[5-(3-Fluoro-phenyl)-1H-pyrazol-3-yl]-4-methyl-phenol
CID 776006
2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-4-methylphenol
CID 936854

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 5-(4-methylanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (CID 166901199) is 5-(4-methylanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 5-(4-methylanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 5-(4-methylanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is Cc1ccc(Nc2ccc(-c3cc(C(F)(F)F)[nH]n3)c(O)c2)cc1.
What is the InChIKey of 5-(4-methylanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The InChIKey is MQUOOHRXXMCAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c1-10-2-4-11(5-3-10)21-12-6-7-13(15(24)8-12)14-9-16(23-22-14)17(18,19)20/h2-9,21,24H,1H3,(H,22,23).
What are the key properties of 5-(4-methylanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
5-(4-methylanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol has a molecular weight of 333.31 g/mol, XLogP of 4.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 166901199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).