5-[3-chloro-5-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl]-1-phenylpyrazol-3-amine

C18H15ClF3N3 — CID 155171518

IUPAC5-[3-chloro-5-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl]-1-phenylpyrazol-3-amine
SMILESC[C@@H](c1cc(Cl)cc(-c2cc(N)nn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C18H15ClF3N3/c1-11(18(20,21)22)12-7-13(9-14(19)8-12)16-10-17(23)24-25(16)15-5-3-2-4-6-15/h2-11H,1H3,(H2,23,24)/t11-/m0/s1
InChIKeySLDVKOFVIFYNGW-NSHDSACASA-N
MW365.79 g/mol
LogP5.44
Rot. Bonds3

About 5-[3-chloro-5-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl]-1-phenylpyrazol-3-amine

5-[3-chloro-5-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl]-1-phenylpyrazol-3-amine (PubChem CID 155171518) has the molecular formula C18H15ClF3N3 and a molecular weight of 365.79 g/mol. Its IUPAC name is 5-[3-chloro-5-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl]-1-phenylpyrazol-3-amine.

Molecular Properties

Compound Name5-[3-chloro-5-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl]-1-phenylpyrazol-3-amine
PubChem CID155171518
Molecular FormulaC18H15ClF3N3
Molecular Weight365.79 g/mol
Exact Mass365.09
IUPAC Name5-[3-chloro-5-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl]-1-phenylpyrazol-3-amine
SMILESC[C@@H](c1cc(Cl)cc(-c2cc(N)nn2-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C18H15ClF3N3/c1-11(18(20,21)22)12-7-13(9-14(19)8-12)16-10-17(23)24-25(16)15-5-3-2-4-6-15/h2-11H,1H3,(H2,23,24)/t11-/m0/s1
InChIKeySLDVKOFVIFYNGW-NSHDSACASA-N
XLogP5.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.79
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-5-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl]-1-phenylpyrazol-3-amine?
The IUPAC name of 5-[3-chloro-5-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl]-1-phenylpyrazol-3-amine (CID 155171518) is 5-[3-chloro-5-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl]-1-phenylpyrazol-3-amine.
What is the SMILES notation for 5-[3-chloro-5-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl]-1-phenylpyrazol-3-amine?
The canonical SMILES for 5-[3-chloro-5-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl]-1-phenylpyrazol-3-amine is C[C@@H](c1cc(Cl)cc(-c2cc(N)nn2-c2ccccc2)c1)C(F)(F)F.
What is the InChIKey of 5-[3-chloro-5-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl]-1-phenylpyrazol-3-amine?
The InChIKey is SLDVKOFVIFYNGW-NSHDSACASA-N. The full InChI is InChI=1S/C18H15ClF3N3/c1-11(18(20,21)22)12-7-13(9-14(19)8-12)16-10-17(23)24-25(16)15-5-3-2-4-6-15/h2-11H,1H3,(H2,23,24)/t11-/m0/s1.
What are the key properties of 5-[3-chloro-5-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl]-1-phenylpyrazol-3-amine?
5-[3-chloro-5-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl]-1-phenylpyrazol-3-amine has a molecular weight of 365.79 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-5-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl]-1-phenylpyrazol-3-amine is sourced from PubChem (CID 155171518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).