N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C21H18Cl2N4O2 — CID 46547114

IUPACN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C21H18Cl2N4O2/c22-16-7-6-14(18(23)11-16)13-27-19(8-9-24-27)25-21(29)15-10-20(28)26(12-15)17-4-2-1-3-5-17/h1-9,11,15H,10,12-13H2,(H,25,29)
InChIKeyHXUKNCUTUZVIAR-UHFFFAOYSA-N
MW429.31 g/mol
LogP4.23
Rot. Bonds5

About N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 46547114) has the molecular formula C21H18Cl2N4O2 and a molecular weight of 429.31 g/mol. Its IUPAC name is N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID46547114
Molecular FormulaC21H18Cl2N4O2
Molecular Weight429.31 g/mol
Exact Mass428.08
IUPAC NameN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C21H18Cl2N4O2/c22-16-7-6-14(18(23)11-16)13-27-19(8-9-24-27)25-21(29)15-10-20(28)26(12-15)17-4-2-1-3-5-17/h1-9,11,15H,10,12-13H2,(H,25,29)
InChIKeyHXUKNCUTUZVIAR-UHFFFAOYSA-N
XLogP4.23
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43049846
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide
CID 51248287
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 24525289
N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43053914
(3R)-N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40569713
(3R)-N-(3-chloro-4-fluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350589
(3S)-1-(3-chlorophenyl)-N-(2-cyclohexylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 51935544
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 17406614
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
CID 18193306
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568216
1-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 55600235

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 46547114) is N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is HXUKNCUTUZVIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N4O2/c22-16-7-6-14(18(23)11-16)13-27-19(8-9-24-27)25-21(29)15-10-20(28)26(12-15)17-4-2-1-3-5-17/h1-9,11,15H,10,12-13H2,(H,25,29).
What are the key properties of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 429.31 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 46547114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).