1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C21H20ClN5O2 — CID 90555086

IUPAC1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCn1nc(CNC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)cc1-c1ccncc1
InChIInChI=1S/C21H20ClN5O2/c1-26-19(14-6-8-23-9-7-14)11-17(25-26)12-24-21(29)15-10-20(28)27(13-15)18-4-2-16(22)3-5-18/h2-9,11,15H,10,12-13H2,1H3,(H,24,29)
InChIKeyIAARHUNBTJPSRZ-UHFFFAOYSA-N
MW409.88 g/mol
LogP2.80
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 90555086) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID90555086
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC Name1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCn1nc(CNC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)cc1-c1ccncc1
InChIInChI=1S/C21H20ClN5O2/c1-26-19(14-6-8-23-9-7-14)11-17(25-26)12-24-21(29)15-10-20(28)27(13-15)18-4-2-16(22)3-5-18/h2-9,11,15H,10,12-13H2,1H3,(H,24,29)
InChIKeyIAARHUNBTJPSRZ-UHFFFAOYSA-N
XLogP2.80
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(4-chlorophenyl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 7337164
(3S)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 25410147
1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 16866958
(3R)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975
(3R)-1-(3-chloro-4-fluorophenyl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 29094993
(3S)-1-(4-chlorophenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 796278
(3S)-1-(4-chlorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 774264
(3R)-N-benzyl-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 754074
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119630418
1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 2844952
N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 71797332
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187460

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 90555086) is 1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is Cn1nc(CNC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)cc1-c1ccncc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IAARHUNBTJPSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c1-26-19(14-6-8-23-9-7-14)11-17(25-26)12-24-21(29)15-10-20(28)27(13-15)18-4-2-16(22)3-5-18/h2-9,11,15H,10,12-13H2,1H3,(H,24,29).
What are the key properties of 1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 409.88 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90555086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).