2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)-2-oxoacetamide

C16H17FN4O2 — CID 71930412

IUPAC2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)-2-oxoacetamide
SMILESCn1ccc(NC(=O)C(=O)N2CCCC2c2cccc(F)c2)n1
InChIInChI=1S/C16H17FN4O2/c1-20-9-7-14(19-20)18-15(22)16(23)21-8-3-6-13(21)11-4-2-5-12(17)10-11/h2,4-5,7,9-10,13H,3,6,8H2,1H3,(H,18,19,22)
InChIKeyVRMWZEWQJIHSDN-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.86
Rot. Bonds2

About 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)-2-oxoacetamide

2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)-2-oxoacetamide (PubChem CID 71930412) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)-2-oxoacetamide
PubChem CID71930412
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)-2-oxoacetamide
SMILESCn1ccc(NC(=O)C(=O)N2CCCC2c2cccc(F)c2)n1
InChIInChI=1S/C16H17FN4O2/c1-20-9-7-14(19-20)18-15(22)16(23)21-8-3-6-13(21)11-4-2-5-12(17)10-11/h2,4-5,7,9-10,13H,3,6,8H2,1H3,(H,18,19,22)
InChIKeyVRMWZEWQJIHSDN-UHFFFAOYSA-N
XLogP1.86
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyano-1-methylpyrazol-5-yl)-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 97257664
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one
CID 136578063
(1-ethylpyrazol-3-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747092
(2R)-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856636
(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
CID 95053549
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 50746912
[2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 70739283
N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 136512167
2-(3-fluorophenyl)piperidine-1-carboxamide
CID 141445896
[1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]urea
CID 47382100
(2R)-N-(2,5-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51855870
methyl N-[3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]phenyl]carbamate
CID 87035285

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)-2-oxoacetamide?
The IUPAC name of 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)-2-oxoacetamide (CID 71930412) is 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)-2-oxoacetamide.
What is the SMILES notation for 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)-2-oxoacetamide?
The canonical SMILES for 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)-2-oxoacetamide is Cn1ccc(NC(=O)C(=O)N2CCCC2c2cccc(F)c2)n1.
What is the InChIKey of 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)-2-oxoacetamide?
The InChIKey is VRMWZEWQJIHSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-20-9-7-14(19-20)18-15(22)16(23)21-8-3-6-13(21)11-4-2-5-12(17)10-11/h2,4-5,7,9-10,13H,3,6,8H2,1H3,(H,18,19,22).
What are the key properties of 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)-2-oxoacetamide?
2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)-2-oxoacetamide has a molecular weight of 316.34 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(1-methylpyrazol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 71930412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).