N-(4-cyano-1-methylpyrazol-5-yl)-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-oxoacetamide

C17H16FN5O2 — CID 97257664

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-oxoacetamide
SMILESCn1ncc(C#N)c1NC(=O)C(=O)N1CCC[C@@H]1c1cccc(F)c1
InChIInChI=1S/C17H16FN5O2/c1-22-15(12(9-19)10-20-22)21-16(24)17(25)23-7-3-6-14(23)11-4-2-5-13(18)8-11/h2,4-5,8,10,14H,3,6-7H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeySTCBBGWFFIWUOI-CQSZACIVSA-N
MW341.35 g/mol
LogP1.73
Rot. Bonds2

About N-(4-cyano-1-methylpyrazol-5-yl)-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-oxoacetamide

N-(4-cyano-1-methylpyrazol-5-yl)-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-oxoacetamide (PubChem CID 97257664) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-oxoacetamide
PubChem CID97257664
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-oxoacetamide
SMILESCn1ncc(C#N)c1NC(=O)C(=O)N1CCC[C@@H]1c1cccc(F)c1
InChIInChI=1S/C17H16FN5O2/c1-22-15(12(9-19)10-20-22)21-16(24)17(25)23-7-3-6-14(23)11-4-2-5-13(18)8-11/h2,4-5,8,10,14H,3,6-7H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeySTCBBGWFFIWUOI-CQSZACIVSA-N
XLogP1.73
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)-2-oxoacetamide
CID 71930412
1-(4-cyano-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)urea
CID 79503956
[2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 70739283
(2R)-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856636
[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 96572952
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one
CID 136578063
4-chloro-3-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]benzonitrile
CID 166193513
[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 129428018
(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
CID 95053549
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 50746912
[2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-(3-fluorophenyl)azepan-1-yl]methanone
CID 97120165
[2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119721878

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-oxoacetamide (CID 97257664) is N-(4-cyano-1-methylpyrazol-5-yl)-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-oxoacetamide is Cn1ncc(C#N)c1NC(=O)C(=O)N1CCC[C@@H]1c1cccc(F)c1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-oxoacetamide?
The InChIKey is STCBBGWFFIWUOI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-22-15(12(9-19)10-20-22)21-16(24)17(25)23-7-3-6-14(23)11-4-2-5-13(18)8-11/h2,4-5,8,10,14H,3,6-7H2,1H3,(H,21,24)/t14-/m1/s1.
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-oxoacetamide?
N-(4-cyano-1-methylpyrazol-5-yl)-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-oxoacetamide has a molecular weight of 341.35 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 97257664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).