(3R)-N-[5-[3-(2-hydroxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

C23H24N4O3 — CID 90656981

IUPAC(3R)-N-[5-[3-(2-hydroxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(O)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1
InChIInChI=1S/C23H24N4O3/c1-23(2,30)17-8-6-7-15(11-17)19-13-20(25-22(29)16-12-21(28)24-14-16)26-27(19)18-9-4-3-5-10-18/h3-11,13,16,30H,12,14H2,1-2H3,(H,24,28)(H,25,26,29)/t16-/m1/s1
InChIKeyNQSGAMLTVKTWNA-MRXNPFEDSA-N
MW404.47 g/mol
LogP2.84
Rot. Bonds5

About (3R)-N-[5-[3-(2-hydroxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

(3R)-N-[5-[3-(2-hydroxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 90656981) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is (3R)-N-[5-[3-(2-hydroxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-[3-(2-hydroxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID90656981
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name(3R)-N-[5-[3-(2-hydroxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(O)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1
InChIInChI=1S/C23H24N4O3/c1-23(2,30)17-8-6-7-15(11-17)19-13-20(25-22(29)16-12-21(28)24-14-16)26-27(19)18-9-4-3-5-10-18/h3-11,13,16,30H,12,14H2,1-2H3,(H,24,28)(H,25,26,29)/t16-/m1/s1
InChIKeyNQSGAMLTVKTWNA-MRXNPFEDSA-N
XLogP2.84
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-[3-(2-hydroxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[5-[3-(2-hydroxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (CID 90656981) is (3R)-N-[5-[3-(2-hydroxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[5-[3-(2-hydroxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[5-[3-(2-hydroxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is CC(C)(O)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1.
What is the InChIKey of (3R)-N-[5-[3-(2-hydroxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NQSGAMLTVKTWNA-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-23(2,30)17-8-6-7-15(11-17)19-13-20(25-22(29)16-12-21(28)24-14-16)26-27(19)18-9-4-3-5-10-18/h3-11,13,16,30H,12,14H2,1-2H3,(H,24,28)(H,25,26,29)/t16-/m1/s1.
What are the key properties of (3R)-N-[5-[3-(2-hydroxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[5-[3-(2-hydroxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-[3-(2-hydroxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90656981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).