(3R)-1-(3-fluorophenyl)-5-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide

C19H23FN4O2 — CID 51597920

IUPAC(3R)-1-(3-fluorophenyl)-5-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCc1nn(C)c(C)c1[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C19H23FN4O2/c1-11(18-12(2)22-23(4)13(18)3)21-19(26)14-8-17(25)24(10-14)16-7-5-6-15(20)9-16/h5-7,9,11,14H,8,10H2,1-4H3,(H,21,26)/t11-,14-/m1/s1
InChIKeyZMIBZYFBZYLWTR-BXUZGUMPSA-N
MW358.42 g/mol
LogP2.41
Rot. Bonds4

About (3R)-1-(3-fluorophenyl)-5-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide

(3R)-1-(3-fluorophenyl)-5-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 51597920) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is (3R)-1-(3-fluorophenyl)-5-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-fluorophenyl)-5-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID51597920
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name(3R)-1-(3-fluorophenyl)-5-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCc1nn(C)c(C)c1[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C19H23FN4O2/c1-11(18-12(2)22-23(4)13(18)3)21-19(26)14-8-17(25)24(10-14)16-7-5-6-15(20)9-16/h5-7,9,11,14H,8,10H2,1-4H3,(H,21,26)/t11-,14-/m1/s1
InChIKeyZMIBZYFBZYLWTR-BXUZGUMPSA-N
XLogP2.41
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(3-fluorophenyl)-5-oxo-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 51597921
N-tert-butyl-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46705199
(3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124824135
2-(3-fluorophenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 95588665
1-(3-bromophenyl)-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 42953340
1-(3-methylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 45010553
1-(3,5-difluorophenyl)-5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-3-carboxamide
CID 51091421
ethyl (3S)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075742
1-(3-fluorophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 110465285
N-[1-(2-chlorophenyl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46407436
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9392169
N-[cyano-(2,4-difluorophenyl)methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 56584764

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-fluorophenyl)-5-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-fluorophenyl)-5-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide (CID 51597920) is (3R)-1-(3-fluorophenyl)-5-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-fluorophenyl)-5-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-fluorophenyl)-5-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide is Cc1nn(C)c(C)c1[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1.
What is the InChIKey of (3R)-1-(3-fluorophenyl)-5-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is ZMIBZYFBZYLWTR-BXUZGUMPSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-11(18-12(2)22-23(4)13(18)3)21-19(26)14-8-17(25)24(10-14)16-7-5-6-15(20)9-16/h5-7,9,11,14H,8,10H2,1-4H3,(H,21,26)/t11-,14-/m1/s1.
What are the key properties of (3R)-1-(3-fluorophenyl)-5-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
(3R)-1-(3-fluorophenyl)-5-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-fluorophenyl)-5-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 51597920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).