(3S)-N-[1-(3-methoxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

C24H26N4O3 — CID 89476595

IUPAC(3S)-N-[1-(3-methoxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(OC)c2)c1
InChIInChI=1S/C24H26N4O3/c1-3-6-16-7-4-8-17(11-16)21-14-22(26-24(30)18-12-23(29)25-15-18)27-28(21)19-9-5-10-20(13-19)31-2/h4-5,7-11,13-14,18H,3,6,12,15H2,1-2H3,(H,25,29)(H,26,27,30)/t18-/m0/s1
InChIKeyNMYDKQHDBZVGMF-SFHVURJKSA-N
MW418.50 g/mol
LogP3.58
Rot. Bonds7

About (3S)-N-[1-(3-methoxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

(3S)-N-[1-(3-methoxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 89476595) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is (3S)-N-[1-(3-methoxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-(3-methoxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID89476595
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name(3S)-N-[1-(3-methoxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(OC)c2)c1
InChIInChI=1S/C24H26N4O3/c1-3-6-16-7-4-8-17(11-16)21-14-22(26-24(30)18-12-23(29)25-15-18)27-28(21)19-9-5-10-20(13-19)31-2/h4-5,7-11,13-14,18H,3,6,12,15H2,1-2H3,(H,25,29)(H,26,27,30)/t18-/m0/s1
InChIKeyNMYDKQHDBZVGMF-SFHVURJKSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-(3-methoxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[1-(3-methoxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (CID 89476595) is (3S)-N-[1-(3-methoxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[1-(3-methoxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[1-(3-methoxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(OC)c2)c1.
What is the InChIKey of (3S)-N-[1-(3-methoxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NMYDKQHDBZVGMF-SFHVURJKSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-3-6-16-7-4-8-17(11-16)21-14-22(26-24(30)18-12-23(29)25-15-18)27-28(21)19-9-5-10-20(13-19)31-2/h4-5,7-11,13-14,18H,3,6,12,15H2,1-2H3,(H,25,29)(H,26,27,30)/t18-/m0/s1.
What are the key properties of (3S)-N-[1-(3-methoxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[1-(3-methoxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-(3-methoxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 89476595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).