(4S)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-4-carboxamide

C24H24F3N5O2 — CID 89476596

IUPAC(4S)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-4-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)N3CC(F)(F)F)nn2-c2ccccc2)c1
InChIInChI=1S/C24H24F3N5O2/c1-2-7-16-8-6-9-17(12-16)19-13-21(30-32(19)18-10-4-3-5-11-18)29-22(33)20-14-28-23(34)31(20)15-24(25,26)27/h3-6,8-13,20H,2,7,14-15H2,1H3,(H,28,34)(H,29,30,33)/t20-/m0/s1
InChIKeyRGZURFZKJYWSDN-FQEVSTJZSA-N
MW471.48 g/mol
LogP4.39
Rot. Bonds7

About (4S)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-4-carboxamide

(4S)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-4-carboxamide (PubChem CID 89476596) has the molecular formula C24H24F3N5O2 and a molecular weight of 471.48 g/mol. Its IUPAC name is (4S)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-4-carboxamide
PubChem CID89476596
Molecular FormulaC24H24F3N5O2
Molecular Weight471.48 g/mol
Exact Mass471.19
IUPAC Name(4S)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-4-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)N3CC(F)(F)F)nn2-c2ccccc2)c1
InChIInChI=1S/C24H24F3N5O2/c1-2-7-16-8-6-9-17(12-16)19-13-21(30-32(19)18-10-4-3-5-11-18)29-22(33)20-14-28-23(34)31(20)15-24(25,26)27/h3-6,8-13,20H,2,7,14-15H2,1H3,(H,28,34)(H,29,30,33)/t20-/m0/s1
InChIKeyRGZURFZKJYWSDN-FQEVSTJZSA-N
XLogP4.39
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-4-carboxamide?
The IUPAC name of (4S)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-4-carboxamide (CID 89476596) is (4S)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-4-carboxamide?
The canonical SMILES for (4S)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-4-carboxamide is CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)N3CC(F)(F)F)nn2-c2ccccc2)c1.
What is the InChIKey of (4S)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-4-carboxamide?
The InChIKey is RGZURFZKJYWSDN-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H24F3N5O2/c1-2-7-16-8-6-9-17(12-16)19-13-21(30-32(19)18-10-4-3-5-11-18)29-22(33)20-14-28-23(34)31(20)15-24(25,26)27/h3-6,8-13,20H,2,7,14-15H2,1H3,(H,28,34)(H,29,30,33)/t20-/m0/s1.
What are the key properties of (4S)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-4-carboxamide?
(4S)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-4-carboxamide has a molecular weight of 471.48 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-4-carboxamide is sourced from PubChem (CID 89476596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).