(3R,4R)-4-(5-tert-butyl-1-methylpyrazol-3-yl)-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide

C19H22F2N4O2 — CID 134412705

IUPAC(3R,4R)-4-(5-tert-butyl-1-methylpyrazol-3-yl)-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCn1nc([C@H]2CNC(=O)[C@@H]2C(=O)Nc2cccc(F)c2F)cc1C(C)(C)C
InChIInChI=1S/C19H22F2N4O2/c1-19(2,3)14-8-13(24-25(14)4)10-9-22-17(26)15(10)18(27)23-12-7-5-6-11(20)16(12)21/h5-8,10,15H,9H2,1-4H3,(H,22,26)(H,23,27)/t10-,15-/m1/s1
InChIKeyNKSUBDRTXXQFEL-MEBBXXQBSA-N
MW376.41 g/mol
LogP2.46
Rot. Bonds3

About (3R,4R)-4-(5-tert-butyl-1-methylpyrazol-3-yl)-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide

(3R,4R)-4-(5-tert-butyl-1-methylpyrazol-3-yl)-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 134412705) has the molecular formula C19H22F2N4O2 and a molecular weight of 376.41 g/mol. Its IUPAC name is (3R,4R)-4-(5-tert-butyl-1-methylpyrazol-3-yl)-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-4-(5-tert-butyl-1-methylpyrazol-3-yl)-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID134412705
Molecular FormulaC19H22F2N4O2
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name(3R,4R)-4-(5-tert-butyl-1-methylpyrazol-3-yl)-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCn1nc([C@H]2CNC(=O)[C@@H]2C(=O)Nc2cccc(F)c2F)cc1C(C)(C)C
InChIInChI=1S/C19H22F2N4O2/c1-19(2,3)14-8-13(24-25(14)4)10-9-22-17(26)15(10)18(27)23-12-7-5-6-11(20)16(12)21/h5-8,10,15H,9H2,1-4H3,(H,22,26)(H,23,27)/t10-,15-/m1/s1
InChIKeyNKSUBDRTXXQFEL-MEBBXXQBSA-N
XLogP2.46
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-N-(2,3-difluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 134412252
(3R,4S)-4-[3-(1,1-difluoroethyl)phenyl]-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 134411708
(3R,4S)-N-(2,3-difluorophenyl)-4-(1-methylindol-6-yl)-2-oxopyrrolidine-3-carboxamide
CID 134412150
(3R,4S)-N-(2,3-difluorophenyl)-2-oxo-4-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 134412253
(3R,4R)-N-(2-fluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 134411870
(3R,4S)-4-[5-(difluoromethyl)thiophen-3-yl]-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 134412038
(3S,4R)-N-(2-fluorophenyl)-1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-oxopyrrolidine-3-carboxamide
CID 154617851
N-(2,3-difluorophenyl)-4-[(6Z)-6-(2-methylpropylidene)cyclohexa-1,3-dien-1-yl]-2-oxopyrrolidine-3-carboxamide
CID 163801614
N-(2,3-difluorophenyl)-4-(3-methylphenyl)-2-oxopiperidine-3-carboxamide
CID 158374692
(3R,4S)-N-(3-fluoro-2-methylphenyl)-4-(3-fluoro-5-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 134412184
N-(2,3-difluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide;1-methyl-5-(trifluoromethyl)pyrazole
CID 154673848
4-[4-[difluoro(phosphanyl)methyl]phenyl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 170046491

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(5-tert-butyl-1-methylpyrazol-3-yl)-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-4-(5-tert-butyl-1-methylpyrazol-3-yl)-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide (CID 134412705) is (3R,4R)-4-(5-tert-butyl-1-methylpyrazol-3-yl)-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-4-(5-tert-butyl-1-methylpyrazol-3-yl)-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-4-(5-tert-butyl-1-methylpyrazol-3-yl)-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide is Cn1nc([C@H]2CNC(=O)[C@@H]2C(=O)Nc2cccc(F)c2F)cc1C(C)(C)C.
What is the InChIKey of (3R,4R)-4-(5-tert-butyl-1-methylpyrazol-3-yl)-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is NKSUBDRTXXQFEL-MEBBXXQBSA-N. The full InChI is InChI=1S/C19H22F2N4O2/c1-19(2,3)14-8-13(24-25(14)4)10-9-22-17(26)15(10)18(27)23-12-7-5-6-11(20)16(12)21/h5-8,10,15H,9H2,1-4H3,(H,22,26)(H,23,27)/t10-,15-/m1/s1.
What are the key properties of (3R,4R)-4-(5-tert-butyl-1-methylpyrazol-3-yl)-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide?
(3R,4R)-4-(5-tert-butyl-1-methylpyrazol-3-yl)-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(5-tert-butyl-1-methylpyrazol-3-yl)-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 134412705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).