(5R)-1-[(R)-(2-fluorophenyl)-phenylmethyl]-5-phenylpyrazolidin-3-one

C22H19FN2O — CID 102041645

IUPAC(5R)-1-[(R)-(2-fluorophenyl)-phenylmethyl]-5-phenylpyrazolidin-3-one
SMILESO=C1C[C@H](c2ccccc2)N([C@H](c2ccccc2)c2ccccc2F)N1
InChIInChI=1S/C22H19FN2O/c23-19-14-8-7-13-18(19)22(17-11-5-2-6-12-17)25-20(15-21(26)24-25)16-9-3-1-4-10-16/h1-14,20,22H,15H2,(H,24,26)/t20-,22-/m1/s1
InChIKeyNTXZNJHXYCUUEU-IFMALSPDSA-N
MW346.41 g/mol
LogP4.39
Rot. Bonds4

About (5R)-1-[(R)-(2-fluorophenyl)-phenylmethyl]-5-phenylpyrazolidin-3-one

(5R)-1-[(R)-(2-fluorophenyl)-phenylmethyl]-5-phenylpyrazolidin-3-one (PubChem CID 102041645) has the molecular formula C22H19FN2O and a molecular weight of 346.41 g/mol. Its IUPAC name is (5R)-1-[(R)-(2-fluorophenyl)-phenylmethyl]-5-phenylpyrazolidin-3-one.

Molecular Properties

Compound Name(5R)-1-[(R)-(2-fluorophenyl)-phenylmethyl]-5-phenylpyrazolidin-3-one
PubChem CID102041645
Molecular FormulaC22H19FN2O
Molecular Weight346.41 g/mol
Exact Mass346.15
IUPAC Name(5R)-1-[(R)-(2-fluorophenyl)-phenylmethyl]-5-phenylpyrazolidin-3-one
SMILESO=C1C[C@H](c2ccccc2)N([C@H](c2ccccc2)c2ccccc2F)N1
InChIInChI=1S/C22H19FN2O/c23-19-14-8-7-13-18(19)22(17-11-5-2-6-12-17)25-20(15-21(26)24-25)16-9-3-1-4-10-16/h1-14,20,22H,15H2,(H,24,26)/t20-,22-/m1/s1
InChIKeyNTXZNJHXYCUUEU-IFMALSPDSA-N
XLogP4.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-[(R)-(2-fluorophenyl)-phenylmethyl]-5-phenylpyrazolidin-3-one?
The IUPAC name of (5R)-1-[(R)-(2-fluorophenyl)-phenylmethyl]-5-phenylpyrazolidin-3-one (CID 102041645) is (5R)-1-[(R)-(2-fluorophenyl)-phenylmethyl]-5-phenylpyrazolidin-3-one.
What is the SMILES notation for (5R)-1-[(R)-(2-fluorophenyl)-phenylmethyl]-5-phenylpyrazolidin-3-one?
The canonical SMILES for (5R)-1-[(R)-(2-fluorophenyl)-phenylmethyl]-5-phenylpyrazolidin-3-one is O=C1C[C@H](c2ccccc2)N([C@H](c2ccccc2)c2ccccc2F)N1.
What is the InChIKey of (5R)-1-[(R)-(2-fluorophenyl)-phenylmethyl]-5-phenylpyrazolidin-3-one?
The InChIKey is NTXZNJHXYCUUEU-IFMALSPDSA-N. The full InChI is InChI=1S/C22H19FN2O/c23-19-14-8-7-13-18(19)22(17-11-5-2-6-12-17)25-20(15-21(26)24-25)16-9-3-1-4-10-16/h1-14,20,22H,15H2,(H,24,26)/t20-,22-/m1/s1.
What are the key properties of (5R)-1-[(R)-(2-fluorophenyl)-phenylmethyl]-5-phenylpyrazolidin-3-one?
(5R)-1-[(R)-(2-fluorophenyl)-phenylmethyl]-5-phenylpyrazolidin-3-one has a molecular weight of 346.41 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[(R)-(2-fluorophenyl)-phenylmethyl]-5-phenylpyrazolidin-3-one is sourced from PubChem (CID 102041645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).