(3S)-5-oxo-N-[1-phenyl-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide

C23H24N4O3 — CID 89476588

IUPAC(3S)-5-oxo-N-[1-phenyl-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESCC(C)Oc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1
InChIInChI=1S/C23H24N4O3/c1-15(2)30-19-10-6-7-16(11-19)20-13-21(25-23(29)17-12-22(28)24-14-17)26-27(20)18-8-4-3-5-9-18/h3-11,13,15,17H,12,14H2,1-2H3,(H,24,28)(H,25,26,29)/t17-/m0/s1
InChIKeyPEDOSIVCSMPLDZ-KRWDZBQOSA-N
MW404.47 g/mol
LogP3.40
Rot. Bonds6

About (3S)-5-oxo-N-[1-phenyl-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide

(3S)-5-oxo-N-[1-phenyl-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide (PubChem CID 89476588) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is (3S)-5-oxo-N-[1-phenyl-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-5-oxo-N-[1-phenyl-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
PubChem CID89476588
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name(3S)-5-oxo-N-[1-phenyl-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESCC(C)Oc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1
InChIInChI=1S/C23H24N4O3/c1-15(2)30-19-10-6-7-16(11-19)20-13-21(25-23(29)17-12-22(28)24-14-17)26-27(20)18-8-4-3-5-9-18/h3-11,13,15,17H,12,14H2,1-2H3,(H,24,28)(H,25,26,29)/t17-/m0/s1
InChIKeyPEDOSIVCSMPLDZ-KRWDZBQOSA-N
XLogP3.40
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-oxo-N-[1-phenyl-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-5-oxo-N-[1-phenyl-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide (CID 89476588) is (3S)-5-oxo-N-[1-phenyl-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-5-oxo-N-[1-phenyl-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-5-oxo-N-[1-phenyl-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide is CC(C)Oc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1.
What is the InChIKey of (3S)-5-oxo-N-[1-phenyl-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is PEDOSIVCSMPLDZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15(2)30-19-10-6-7-16(11-19)20-13-21(25-23(29)17-12-22(28)24-14-17)26-27(20)18-8-4-3-5-9-18/h3-11,13,15,17H,12,14H2,1-2H3,(H,24,28)(H,25,26,29)/t17-/m0/s1.
What are the key properties of (3S)-5-oxo-N-[1-phenyl-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
(3S)-5-oxo-N-[1-phenyl-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-oxo-N-[1-phenyl-5-(3-propan-2-yloxyphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 89476588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).