4-(3-chloro-1-methylpyrazol-5-yl)-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide

C16H15ClF2N4O2 — CID 175557849

IUPAC4-(3-chloro-1-methylpyrazol-5-yl)-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCN1CC(c2cc(Cl)nn2C)C(C(=O)Nc2ccc(F)cc2F)C1=O
InChIInChI=1S/C16H15ClF2N4O2/c1-22-7-9(12-6-13(17)21-23(12)2)14(16(22)25)15(24)20-11-4-3-8(18)5-10(11)19/h3-6,9,14H,7H2,1-2H3,(H,20,24)
InChIKeyPGJXEOUZWIIDLL-UHFFFAOYSA-N
MW368.77 g/mol
LogP2.16
Rot. Bonds3

About 4-(3-chloro-1-methylpyrazol-5-yl)-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide

4-(3-chloro-1-methylpyrazol-5-yl)-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide (PubChem CID 175557849) has the molecular formula C16H15ClF2N4O2 and a molecular weight of 368.77 g/mol. Its IUPAC name is 4-(3-chloro-1-methylpyrazol-5-yl)-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-1-methylpyrazol-5-yl)-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
PubChem CID175557849
Molecular FormulaC16H15ClF2N4O2
Molecular Weight368.77 g/mol
Exact Mass368.09
IUPAC Name4-(3-chloro-1-methylpyrazol-5-yl)-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCN1CC(c2cc(Cl)nn2C)C(C(=O)Nc2ccc(F)cc2F)C1=O
InChIInChI=1S/C16H15ClF2N4O2/c1-22-7-9(12-6-13(17)21-23(12)2)14(16(22)25)15(24)20-11-4-3-8(18)5-10(11)19/h3-6,9,14H,7H2,1-2H3,(H,20,24)
InChIKeyPGJXEOUZWIIDLL-UHFFFAOYSA-N
XLogP2.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.77
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-4-(3-chloro-1-methylpyrazol-5-yl)-N-[2-(1,1-difluoroethyl)-3-fluorophenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 154617884
4-(3-chloro-1-methylpyrazol-5-yl)-N-[3-fluoro-2-(trifluoromethoxy)phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 175557828
(4R)-4-[1-(difluoromethyl)-5-ethylpyrazol-3-yl]-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 169281348
(3S,4R)-4-(3-chloro-1-methylpyrazol-5-yl)-N-[3-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-2-sulfanylidenepyrrolidine-3-carboxamide
CID 155024462
(3R,4R)-N-(2-fluoro-4-methylphenyl)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134412441
(3S,4S)-4-(4-chlorophenyl)-1-methyl-2-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 134416121
(3S,4R)-4-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-N-[3-fluoro-2-(1-fluoroethoxy)phenyl]-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 154673482
[2-fluoro-5-[4-[(2-fluorophenyl)carbamoyl]-1-methyl-5-oxopyrrolidin-3-yl]phenyl]thallium
CID 163597452
(3S,4S)-4-(3-fluorophenyl)-1-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134416094
(3S,4S)-4-(3-bromo-5-chloro-1-methylpyrazol-4-yl)-N-(2-fluorothiophen-3-yl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 154617860
4-bromo-3-chloro-1-methylpyrazole;(3S)-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 154673470
(3S,4S)-1-methyl-N-(2-methylsulfanylphenyl)-2-oxo-4-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 134411782

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-1-methylpyrazol-5-yl)-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 4-(3-chloro-1-methylpyrazol-5-yl)-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide (CID 175557849) is 4-(3-chloro-1-methylpyrazol-5-yl)-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 4-(3-chloro-1-methylpyrazol-5-yl)-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 4-(3-chloro-1-methylpyrazol-5-yl)-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide is CN1CC(c2cc(Cl)nn2C)C(C(=O)Nc2ccc(F)cc2F)C1=O.
What is the InChIKey of 4-(3-chloro-1-methylpyrazol-5-yl)-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide?
The InChIKey is PGJXEOUZWIIDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N4O2/c1-22-7-9(12-6-13(17)21-23(12)2)14(16(22)25)15(24)20-11-4-3-8(18)5-10(11)19/h3-6,9,14H,7H2,1-2H3,(H,20,24).
What are the key properties of 4-(3-chloro-1-methylpyrazol-5-yl)-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide?
4-(3-chloro-1-methylpyrazol-5-yl)-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide has a molecular weight of 368.77 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-1-methylpyrazol-5-yl)-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 175557849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).