5-amino-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-2-phenylpyrrol-3-ol

C19H17F3N2O2 — CID 54224991

IUPAC5-amino-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-2-phenylpyrrol-3-ol
SMILESCOc1cc(-c2c(O)c(-c3ccccc3)n(C)c2N)cc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N2O2/c1-24-16(11-6-4-3-5-7-11)17(25)15(18(24)23)12-8-13(19(20,21)22)10-14(9-12)26-2/h3-10,25H,23H2,1-2H3
InChIKeyQFFLLDALVGCFAB-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.67
Rot. Bonds3

About 5-amino-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-2-phenylpyrrol-3-ol

5-amino-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-2-phenylpyrrol-3-ol (PubChem CID 54224991) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 5-amino-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-2-phenylpyrrol-3-ol.

Molecular Properties

Compound Name5-amino-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-2-phenylpyrrol-3-ol
PubChem CID54224991
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name5-amino-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-2-phenylpyrrol-3-ol
SMILESCOc1cc(-c2c(O)c(-c3ccccc3)n(C)c2N)cc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N2O2/c1-24-16(11-6-4-3-5-7-11)17(25)15(18(24)23)12-8-13(19(20,21)22)10-14(9-12)26-2/h3-10,25H,23H2,1-2H3
InChIKeyQFFLLDALVGCFAB-UHFFFAOYSA-N
XLogP4.67
TPSA60.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-methoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine
CID 53353513
[2-amino-3-[3,5-bis(trifluoromethyl)phenyl]-6-(4-methoxyphenyl)-4-phenylphenyl]-phenylmethanone
CID 10461064
1-(3-methoxypyrazin-2-yl)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine
CID 58119482
3-(4-methoxyphenyl)-1-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole
CID 132940971
2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
CID 71608846
1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene
CID 102293642
3-amino-2-(3,5-dimethoxyphenyl)phenol
CID 22173860
1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 14468002
4-[3-amino-2-phenyl-5-(trifluoromethyl)phenyl]phenol
CID 174485534
4-(4-methoxyphenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100561144
2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
CID 118710918
2-methoxy-1,3-diphenyl-5-(trifluoromethyl)benzene
CID 146622594

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-2-phenylpyrrol-3-ol?
The IUPAC name of 5-amino-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-2-phenylpyrrol-3-ol (CID 54224991) is 5-amino-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-2-phenylpyrrol-3-ol.
What is the SMILES notation for 5-amino-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-2-phenylpyrrol-3-ol?
The canonical SMILES for 5-amino-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-2-phenylpyrrol-3-ol is COc1cc(-c2c(O)c(-c3ccccc3)n(C)c2N)cc(C(F)(F)F)c1.
What is the InChIKey of 5-amino-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-2-phenylpyrrol-3-ol?
The InChIKey is QFFLLDALVGCFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-24-16(11-6-4-3-5-7-11)17(25)15(18(24)23)12-8-13(19(20,21)22)10-14(9-12)26-2/h3-10,25H,23H2,1-2H3.
What are the key properties of 5-amino-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-2-phenylpyrrol-3-ol?
5-amino-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-2-phenylpyrrol-3-ol has a molecular weight of 362.35 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-2-phenylpyrrol-3-ol is sourced from PubChem (CID 54224991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).