N-(4-methoxyphenyl)-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine

C18H16F3N3O — CID 70483466

IUPACN-(4-methoxyphenyl)-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine
SMILESCOc1ccc(Nc2ccn(-c3cccc(CC(F)(F)F)c3)n2)cc1
InChIInChI=1S/C18H16F3N3O/c1-25-16-7-5-14(6-8-16)22-17-9-10-24(23-17)15-4-2-3-13(11-15)12-18(19,20)21/h2-11H,12H2,1H3,(H,22,23)
InChIKeyBHOYDZBSNNCYJT-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.73
Rot. Bonds5

About N-(4-methoxyphenyl)-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine

N-(4-methoxyphenyl)-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine (PubChem CID 70483466) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine
PubChem CID70483466
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC NameN-(4-methoxyphenyl)-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine
SMILESCOc1ccc(Nc2ccn(-c3cccc(CC(F)(F)F)c3)n2)cc1
InChIInChI=1S/C18H16F3N3O/c1-25-16-7-5-14(6-8-16)22-17-9-10-24(23-17)15-4-2-3-13(11-15)12-18(19,20)21/h2-11H,12H2,1H3,(H,22,23)
InChIKeyBHOYDZBSNNCYJT-UHFFFAOYSA-N
XLogP4.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine?
The IUPAC name of N-(4-methoxyphenyl)-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine (CID 70483466) is N-(4-methoxyphenyl)-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine?
The canonical SMILES for N-(4-methoxyphenyl)-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine is COc1ccc(Nc2ccn(-c3cccc(CC(F)(F)F)c3)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine?
The InChIKey is BHOYDZBSNNCYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-25-16-7-5-14(6-8-16)22-17-9-10-24(23-17)15-4-2-3-13(11-15)12-18(19,20)21/h2-11H,12H2,1H3,(H,22,23).
What are the key properties of N-(4-methoxyphenyl)-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine?
N-(4-methoxyphenyl)-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine has a molecular weight of 347.34 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-[3-(2,2,2-trifluoroethyl)phenyl]pyrazol-3-amine is sourced from PubChem (CID 70483466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).