4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine

C18H16F3N3O — CID 100561110

IUPAC4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCOc1ccc(-c2c(C(F)(F)F)nn(-c3ccc(C)cc3)c2N)cc1
InChIInChI=1S/C18H16F3N3O/c1-11-3-7-13(8-4-11)24-17(22)15(16(23-24)18(19,20)21)12-5-9-14(25-2)10-6-12/h3-10H,22H2,1-2H3
InChIKeyJQLHQIZJZSXLPF-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.46
Rot. Bonds3

About 4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine

4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 100561110) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID100561110
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCOc1ccc(-c2c(C(F)(F)F)nn(-c3ccc(C)cc3)c2N)cc1
InChIInChI=1S/C18H16F3N3O/c1-11-3-7-13(8-4-11)24-17(22)15(16(23-24)18(19,20)21)12-5-9-14(25-2)10-6-12/h3-10H,22H2,1-2H3
InChIKeyJQLHQIZJZSXLPF-UHFFFAOYSA-N
XLogP4.46
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 100560964
4-(4-methoxyphenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100561144
4-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 100560606
7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)benzo[g]indazole
CID 22965623
1-(4-chlorophenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine
CID 71384169
4-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethyl)pyrazole-3-carbonitrile
CID 172842617
1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)sulfanylpyrazol-5-amine
CID 122229440
4-[5-fluoro-4-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 169097295
4-(3,4-dimethoxyphenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100561206
methanesulfonamide;5-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 142958737
1-(3-methoxypyrazin-2-yl)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine
CID 58119482
5-chloro-4-(chloromethyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole
CID 63173164

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine (CID 100561110) is 4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine is COc1ccc(-c2c(C(F)(F)F)nn(-c3ccc(C)cc3)c2N)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is JQLHQIZJZSXLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-11-3-7-13(8-4-11)24-17(22)15(16(23-24)18(19,20)21)12-5-9-14(25-2)10-6-12/h3-10H,22H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine?
4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 347.34 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 100561110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).