(3S)-N-[5-[3-(2-methylpropoxy)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

C24H26N4O3 — CID 89476932

IUPAC(3S)-N-[5-[3-(2-methylpropoxy)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)COc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1
InChIInChI=1S/C24H26N4O3/c1-16(2)15-31-20-10-6-7-17(11-20)21-13-22(26-24(30)18-12-23(29)25-14-18)27-28(21)19-8-4-3-5-9-19/h3-11,13,16,18H,12,14-15H2,1-2H3,(H,25,29)(H,26,27,30)/t18-/m0/s1
InChIKeyAGMWKWWOGJAFPK-SFHVURJKSA-N
MW418.50 g/mol
LogP3.65
Rot. Bonds7

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

(3S)-N-[5-[3-(2-methylpropoxy)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 89476932) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is (3S)-N-[5-[3-(2-methylpropoxy)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[5-[3-(2-methylpropoxy)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID89476932
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name(3S)-N-[5-[3-(2-methylpropoxy)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)COc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1
InChIInChI=1S/C24H26N4O3/c1-16(2)15-31-20-10-6-7-17(11-20)21-13-22(26-24(30)18-12-23(29)25-14-18)27-28(21)19-8-4-3-5-9-19/h3-11,13,16,18H,12,14-15H2,1-2H3,(H,25,29)(H,26,27,30)/t18-/m0/s1
InChIKeyAGMWKWWOGJAFPK-SFHVURJKSA-N
XLogP3.65
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[5-[3-(2-methylpropoxy)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[5-[3-(2-methylpropoxy)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (CID 89476932) is (3S)-N-[5-[3-(2-methylpropoxy)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[5-[3-(2-methylpropoxy)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[5-[3-(2-methylpropoxy)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is CC(C)COc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1.
What is the InChIKey of (3S)-N-[5-[3-(2-methylpropoxy)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AGMWKWWOGJAFPK-SFHVURJKSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-16(2)15-31-20-10-6-7-17(11-20)21-13-22(26-24(30)18-12-23(29)25-14-18)27-28(21)19-8-4-3-5-9-19/h3-11,13,16,18H,12,14-15H2,1-2H3,(H,25,29)(H,26,27,30)/t18-/m0/s1.
What are the key properties of (3S)-N-[5-[3-(2-methylpropoxy)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[5-[3-(2-methylpropoxy)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[5-[3-(2-methylpropoxy)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 89476932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).