(3R)-1-(3-chlorophenyl)-5-oxo-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide

C20H18ClN5O2 — CID 25345668

IUPAC(3R)-1-(3-chlorophenyl)-5-oxo-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(-n2cccn2)nc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1
InChIInChI=1S/C20H18ClN5O2/c21-16-3-1-4-17(10-16)25-13-15(9-19(25)27)20(28)23-12-14-5-6-18(22-11-14)26-8-2-7-24-26/h1-8,10-11,15H,9,12-13H2,(H,23,28)/t15-/m1/s1
InChIKeyPMQYADDRUOJBLF-OAHLLOKOSA-N
MW395.85 g/mol
LogP2.59
Rot. Bonds5

About (3R)-1-(3-chlorophenyl)-5-oxo-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide

(3R)-1-(3-chlorophenyl)-5-oxo-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 25345668) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is (3R)-1-(3-chlorophenyl)-5-oxo-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-chlorophenyl)-5-oxo-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
PubChem CID25345668
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC Name(3R)-1-(3-chlorophenyl)-5-oxo-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(-n2cccn2)nc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1
InChIInChI=1S/C20H18ClN5O2/c21-16-3-1-4-17(10-16)25-13-15(9-19(25)27)20(28)23-12-14-5-6-18(22-11-14)26-8-2-7-24-26/h1-8,10-11,15H,9,12-13H2,(H,23,28)/t15-/m1/s1
InChIKeyPMQYADDRUOJBLF-OAHLLOKOSA-N
XLogP2.59
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(3-chlorophenyl)-5-oxo-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-(3-chlorophenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 43058932
1-(3-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 46581333
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopentanecarboxamide
CID 25343497
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 55749894
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46487067
1-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46584016
1-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55839591
1-(3-chlorophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42953054
(3S)-1-(4-chlorophenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 796278
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55800985
N-[(4-chlorophenyl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188634
(3R)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chlorophenyl)-5-oxo-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-chlorophenyl)-5-oxo-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide (CID 25345668) is (3R)-1-(3-chlorophenyl)-5-oxo-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-chlorophenyl)-5-oxo-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-chlorophenyl)-5-oxo-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide is O=C(NCc1ccc(-n2cccn2)nc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1.
What is the InChIKey of (3R)-1-(3-chlorophenyl)-5-oxo-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is PMQYADDRUOJBLF-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c21-16-3-1-4-17(10-16)25-13-15(9-19(25)27)20(28)23-12-14-5-6-18(22-11-14)26-8-2-7-24-26/h1-8,10-11,15H,9,12-13H2,(H,23,28)/t15-/m1/s1.
What are the key properties of (3R)-1-(3-chlorophenyl)-5-oxo-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide?
(3R)-1-(3-chlorophenyl)-5-oxo-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chlorophenyl)-5-oxo-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 25345668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).