(3R)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C22H29N5O3 — CID 51595159

IUPAC(3R)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CCC(n2nccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1
InChIInChI=1S/C22H29N5O3/c1-3-25-12-9-18(10-13-25)27-20(8-11-23-27)24-22(29)16-14-21(28)26(15-16)17-4-6-19(30-2)7-5-17/h4-8,11,16,18H,3,9-10,12-15H2,1-2H3,(H,24,29)/t16-/m1/s1
InChIKeyUIDQIAHWGHLXIV-MRXNPFEDSA-N
MW411.51 g/mol
LogP2.54
Rot. Bonds6

About (3R)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 51595159) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is (3R)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID51595159
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name(3R)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CCC(n2nccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1
InChIInChI=1S/C22H29N5O3/c1-3-25-12-9-18(10-13-25)27-20(8-11-23-27)24-22(29)16-14-21(28)26(15-16)17-4-6-19(30-2)7-5-17/h4-8,11,16,18H,3,9-10,12-15H2,1-2H3,(H,24,29)/t16-/m1/s1
InChIKeyUIDQIAHWGHLXIV-MRXNPFEDSA-N
XLogP2.54
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
1-(4-bromo-3-methylphenyl)-N-(2-cyclopentylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 55583267
(3S)-N-(4,6-dimethylpyrimidin-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94843087
(3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673163
1-(4-methoxyphenyl)-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide
CID 49059492
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874
(3S)-1-(4-ethoxyphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1072645
N-(4-methoxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791034
(3R)-N-(3,5-difluorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7258686
1-(4-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188168
ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 6493237

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 51595159) is (3R)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCN1CCC(n2nccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1.
What is the InChIKey of (3R)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UIDQIAHWGHLXIV-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-3-25-12-9-18(10-13-25)27-20(8-11-23-27)24-22(29)16-14-21(28)26(15-16)17-4-6-19(30-2)7-5-17/h4-8,11,16,18H,3,9-10,12-15H2,1-2H3,(H,24,29)/t16-/m1/s1.
What are the key properties of (3R)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51595159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).