5-[3-chloro-5-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]phenyl]-1-phenylpyrazol-3-amine

C19H17ClF3N3O — CID 150105419

IUPAC5-[3-chloro-5-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]phenyl]-1-phenylpyrazol-3-amine
SMILESC[C@@H](OCC(F)(F)F)c1cc(Cl)cc(-c2cc(N)nn2-c2ccccc2)c1
InChIInChI=1S/C19H17ClF3N3O/c1-12(27-11-19(21,22)23)13-7-14(9-15(20)8-13)17-10-18(24)25-26(17)16-5-3-2-4-6-16/h2-10,12H,11H2,1H3,(H2,24,25)/t12-/m1/s1
InChIKeyDWDDUZMFFPIKDQ-GFCCVEGCSA-N
MW395.81 g/mol
LogP5.41
Rot. Bonds5

About 5-[3-chloro-5-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]phenyl]-1-phenylpyrazol-3-amine

5-[3-chloro-5-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]phenyl]-1-phenylpyrazol-3-amine (PubChem CID 150105419) has the molecular formula C19H17ClF3N3O and a molecular weight of 395.81 g/mol. Its IUPAC name is 5-[3-chloro-5-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]phenyl]-1-phenylpyrazol-3-amine.

Molecular Properties

Compound Name5-[3-chloro-5-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]phenyl]-1-phenylpyrazol-3-amine
PubChem CID150105419
Molecular FormulaC19H17ClF3N3O
Molecular Weight395.81 g/mol
Exact Mass395.10
IUPAC Name5-[3-chloro-5-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]phenyl]-1-phenylpyrazol-3-amine
SMILESC[C@@H](OCC(F)(F)F)c1cc(Cl)cc(-c2cc(N)nn2-c2ccccc2)c1
InChIInChI=1S/C19H17ClF3N3O/c1-12(27-11-19(21,22)23)13-7-14(9-15(20)8-13)17-10-18(24)25-26(17)16-5-3-2-4-6-16/h2-10,12H,11H2,1H3,(H2,24,25)/t12-/m1/s1
InChIKeyDWDDUZMFFPIKDQ-GFCCVEGCSA-N
XLogP5.41
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.81
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-5-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]phenyl]-1-phenylpyrazol-3-amine?
The IUPAC name of 5-[3-chloro-5-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]phenyl]-1-phenylpyrazol-3-amine (CID 150105419) is 5-[3-chloro-5-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]phenyl]-1-phenylpyrazol-3-amine.
What is the SMILES notation for 5-[3-chloro-5-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]phenyl]-1-phenylpyrazol-3-amine?
The canonical SMILES for 5-[3-chloro-5-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]phenyl]-1-phenylpyrazol-3-amine is C[C@@H](OCC(F)(F)F)c1cc(Cl)cc(-c2cc(N)nn2-c2ccccc2)c1.
What is the InChIKey of 5-[3-chloro-5-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]phenyl]-1-phenylpyrazol-3-amine?
The InChIKey is DWDDUZMFFPIKDQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17ClF3N3O/c1-12(27-11-19(21,22)23)13-7-14(9-15(20)8-13)17-10-18(24)25-26(17)16-5-3-2-4-6-16/h2-10,12H,11H2,1H3,(H2,24,25)/t12-/m1/s1.
What are the key properties of 5-[3-chloro-5-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]phenyl]-1-phenylpyrazol-3-amine?
5-[3-chloro-5-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]phenyl]-1-phenylpyrazol-3-amine has a molecular weight of 395.81 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-5-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]phenyl]-1-phenylpyrazol-3-amine is sourced from PubChem (CID 150105419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).