(4R)-4-[1-(difluoromethyl)-5-ethylpyrazol-3-yl]-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide

C18H18F4N4O2 — CID 169281348

IUPAC(4R)-4-[1-(difluoromethyl)-5-ethylpyrazol-3-yl]-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCCc1cc([C@H]2CN(C)C(=O)C2C(=O)Nc2ccc(F)cc2F)nn1C(F)F
InChIInChI=1S/C18H18F4N4O2/c1-3-10-7-14(24-26(10)18(21)22)11-8-25(2)17(28)15(11)16(27)23-13-5-4-9(19)6-12(13)20/h4-7,11,15,18H,3,8H2,1-2H3,(H,23,27)/t11-,15?/m1/s1
InChIKeyBBSFJNBFBRZMCH-ZRKZCGFPSA-N
MW398.36 g/mol
LogP2.93
Rot. Bonds5

About (4R)-4-[1-(difluoromethyl)-5-ethylpyrazol-3-yl]-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide

(4R)-4-[1-(difluoromethyl)-5-ethylpyrazol-3-yl]-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide (PubChem CID 169281348) has the molecular formula C18H18F4N4O2 and a molecular weight of 398.36 g/mol. Its IUPAC name is (4R)-4-[1-(difluoromethyl)-5-ethylpyrazol-3-yl]-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(4R)-4-[1-(difluoromethyl)-5-ethylpyrazol-3-yl]-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
PubChem CID169281348
Molecular FormulaC18H18F4N4O2
Molecular Weight398.36 g/mol
Exact Mass398.14
IUPAC Name(4R)-4-[1-(difluoromethyl)-5-ethylpyrazol-3-yl]-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCCc1cc([C@H]2CN(C)C(=O)C2C(=O)Nc2ccc(F)cc2F)nn1C(F)F
InChIInChI=1S/C18H18F4N4O2/c1-3-10-7-14(24-26(10)18(21)22)11-8-25(2)17(28)15(11)16(27)23-13-5-4-9(19)6-12(13)20/h4-7,11,15,18H,3,8H2,1-2H3,(H,23,27)/t11-,15?/m1/s1
InChIKeyBBSFJNBFBRZMCH-ZRKZCGFPSA-N
XLogP2.93
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.36
LogP ≤ 52.93
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

4-(3-chloro-1-methylpyrazol-5-yl)-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 175557849
(3S,4R)-N-(2-fluorophenyl)-1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide
CID 154617851
(3R,4R)-N-(2-fluoro-4-methylphenyl)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134412441
(3S,4R)-4-(6-tert-butylpyrimidin-4-yl)-1-methyl-2-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 134412509
(3S,4S)-1-methyl-N-(2-methylsulfanylphenyl)-2-oxo-4-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 134411782
(3S,4S)-4-(4-chlorophenyl)-1-methyl-2-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 134416121
[2-fluoro-5-[4-[(2-fluorophenyl)carbamoyl]-1-methyl-5-oxopyrrolidin-3-yl]phenyl]thallium
CID 163597452
(3S,4S)-4-(3,5-difluorophenyl)-1-methyl-N-(2-methylsulfonylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 134411677
(3S,4S)-4-(3-fluorophenyl)-1-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134416094
N-(2,4-difluorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide
CID 114508450
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
1-N,2-N-bis(2,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144111

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[1-(difluoromethyl)-5-ethylpyrazol-3-yl]-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (4R)-4-[1-(difluoromethyl)-5-ethylpyrazol-3-yl]-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide (CID 169281348) is (4R)-4-[1-(difluoromethyl)-5-ethylpyrazol-3-yl]-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (4R)-4-[1-(difluoromethyl)-5-ethylpyrazol-3-yl]-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (4R)-4-[1-(difluoromethyl)-5-ethylpyrazol-3-yl]-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide is CCc1cc([C@H]2CN(C)C(=O)C2C(=O)Nc2ccc(F)cc2F)nn1C(F)F.
What is the InChIKey of (4R)-4-[1-(difluoromethyl)-5-ethylpyrazol-3-yl]-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide?
The InChIKey is BBSFJNBFBRZMCH-ZRKZCGFPSA-N. The full InChI is InChI=1S/C18H18F4N4O2/c1-3-10-7-14(24-26(10)18(21)22)11-8-25(2)17(28)15(11)16(27)23-13-5-4-9(19)6-12(13)20/h4-7,11,15,18H,3,8H2,1-2H3,(H,23,27)/t11-,15?/m1/s1.
What are the key properties of (4R)-4-[1-(difluoromethyl)-5-ethylpyrazol-3-yl]-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide?
(4R)-4-[1-(difluoromethyl)-5-ethylpyrazol-3-yl]-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide has a molecular weight of 398.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[1-(difluoromethyl)-5-ethylpyrazol-3-yl]-N-(2,4-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 169281348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).