(2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

C18H21FN4O2 — CID 95740514

IUPAC(2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCc1c(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(F)c2)cnn1C
InChIInChI=1S/C18H21FN4O2/c1-11-13(10-21-23(11)3)9-20-18(25)15-8-16(24)22(2)17(15)12-5-4-6-14(19)7-12/h4-7,10,15,17H,8-9H2,1-3H3,(H,20,25)/t15-,17-/m1/s1
InChIKeyNINZRINRCUJWSC-NVXWUHKLSA-N
MW344.39 g/mol
LogP1.70
Rot. Bonds4

About (2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

(2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 95740514) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is (2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID95740514
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name(2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCc1c(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(F)c2)cnn1C
InChIInChI=1S/C18H21FN4O2/c1-11-13(10-21-23(11)3)9-20-18(25)15-8-16(24)22(2)17(15)12-5-4-6-14(19)7-12/h4-7,10,15,17H,8-9H2,1-3H3,(H,20,25)/t15-,17-/m1/s1
InChIKeyNINZRINRCUJWSC-NVXWUHKLSA-N
XLogP1.70
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 97456988
(2S,3S)-N-butyl-2-(3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95740531
2-(3-fluorophenyl)-1-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 71689628
(2S,3S)-2-(3-chlorophenyl)-1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97317115
(2R,3S)-2-(3-chlorophenyl)-1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97317117
(2R,3S)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 95741333
(2S,3S)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 52898848
(2R,3R)-2-(3-fluorophenyl)-1-methyl-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 52898847
(3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25371700
(2R,3R)-2-(4-fluorophenyl)-1-methyl-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95740374
(2R,3S)-2-(3-fluorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 95740179
(4R,5R)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 95740527

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 95740514) is (2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is Cc1c(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(F)c2)cnn1C.
What is the InChIKey of (2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NINZRINRCUJWSC-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-11-13(10-21-23(11)3)9-20-18(25)15-8-16(24)22(2)17(15)12-5-4-6-14(19)7-12/h4-7,10,15,17H,8-9H2,1-3H3,(H,20,25)/t15-,17-/m1/s1.
What are the key properties of (2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
(2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95740514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).