(3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide

C23H24N4O3 — CID 124760136

IUPAC(3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)NCCn3cc(-c4ccccc4)cn3)CC2=O)cc1
InChIInChI=1S/C23H24N4O3/c1-30-21-9-7-20(8-10-21)27-16-18(13-22(27)28)23(29)24-11-12-26-15-19(14-25-26)17-5-3-2-4-6-17/h2-10,14-15,18H,11-13,16H2,1H3,(H,24,29)/t18-/m1/s1
InChIKeyJJUIAJWGSHZXPQ-GOSISDBHSA-N
MW404.47 g/mol
LogP2.73
Rot. Bonds7

About (3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide

(3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 124760136) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is (3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID124760136
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name(3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)NCCn3cc(-c4ccccc4)cn3)CC2=O)cc1
InChIInChI=1S/C23H24N4O3/c1-30-21-9-7-20(8-10-21)27-16-18(13-22(27)28)23(29)24-11-12-26-15-19(14-25-26)17-5-3-2-4-6-17/h2-10,14-15,18H,11-13,16H2,1H3,(H,24,29)/t18-/m1/s1
InChIKeyJJUIAJWGSHZXPQ-GOSISDBHSA-N
XLogP2.73
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
N-(2-amino-2-phenylethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119529526
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674
1-(4-methoxyphenyl)-5-oxo-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 90613890
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785660
1-(4-methoxyphenyl)-5-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 55663749
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119408774
1-(4-methoxyphenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 42958868
N-(2-methoxyethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 113190080
N-[2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-4-carboxamide
CID 29134927

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide (CID 124760136) is (3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide is COc1ccc(N2C[C@H](C(=O)NCCn3cc(-c4ccccc4)cn3)CC2=O)cc1.
What is the InChIKey of (3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is JJUIAJWGSHZXPQ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-30-21-9-7-20(8-10-21)27-16-18(13-22(27)28)23(29)24-11-12-26-15-19(14-25-26)17-5-3-2-4-6-17/h2-10,14-15,18H,11-13,16H2,1H3,(H,24,29)/t18-/m1/s1.
What are the key properties of (3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide?
(3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 124760136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).