(3R)-5-oxo-N-[1-(2-phenylethyl)-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide

C25H28N4O2 — CID 89476700

IUPAC(3R)-5-oxo-N-[1-(2-phenylethyl)-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2CCc2ccccc2)c1
InChIInChI=1S/C25H28N4O2/c1-2-7-19-10-6-11-20(14-19)22-16-23(27-25(31)21-15-24(30)26-17-21)28-29(22)13-12-18-8-4-3-5-9-18/h3-6,8-11,14,16,21H,2,7,12-13,15,17H2,1H3,(H,26,30)(H,27,28,31)/t21-/m1/s1
InChIKeyWRLXUFPMRZTLAM-OAQYLSRUSA-N
MW416.53 g/mol
LogP3.82
Rot. Bonds8

About (3R)-5-oxo-N-[1-(2-phenylethyl)-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide

(3R)-5-oxo-N-[1-(2-phenylethyl)-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide (PubChem CID 89476700) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is (3R)-5-oxo-N-[1-(2-phenylethyl)-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-oxo-N-[1-(2-phenylethyl)-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
PubChem CID89476700
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name(3R)-5-oxo-N-[1-(2-phenylethyl)-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2CCc2ccccc2)c1
InChIInChI=1S/C25H28N4O2/c1-2-7-19-10-6-11-20(14-19)22-16-23(27-25(31)21-15-24(30)26-17-21)28-29(22)13-12-18-8-4-3-5-9-18/h3-6,8-11,14,16,21H,2,7,12-13,15,17H2,1H3,(H,26,30)(H,27,28,31)/t21-/m1/s1
InChIKeyWRLXUFPMRZTLAM-OAQYLSRUSA-N
XLogP3.82
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-N-[1-(2-phenylethyl)-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-5-oxo-N-[1-(2-phenylethyl)-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide (CID 89476700) is (3R)-5-oxo-N-[1-(2-phenylethyl)-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-5-oxo-N-[1-(2-phenylethyl)-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-5-oxo-N-[1-(2-phenylethyl)-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide is CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2CCc2ccccc2)c1.
What is the InChIKey of (3R)-5-oxo-N-[1-(2-phenylethyl)-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is WRLXUFPMRZTLAM-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-2-7-19-10-6-11-20(14-19)22-16-23(27-25(31)21-15-24(30)26-17-21)28-29(22)13-12-18-8-4-3-5-9-18/h3-6,8-11,14,16,21H,2,7,12-13,15,17H2,1H3,(H,26,30)(H,27,28,31)/t21-/m1/s1.
What are the key properties of (3R)-5-oxo-N-[1-(2-phenylethyl)-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
(3R)-5-oxo-N-[1-(2-phenylethyl)-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-N-[1-(2-phenylethyl)-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 89476700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).