N-[1-(2-fluorophenyl)pyrazol-4-yl]-2-(2-oxopyrrolidin-1-yl)butanamide

C17H19FN4O2 — CID 71921698

IUPACN-[1-(2-fluorophenyl)pyrazol-4-yl]-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)Nc1cnn(-c2ccccc2F)c1)N1CCCC1=O
InChIInChI=1S/C17H19FN4O2/c1-2-14(21-9-5-8-16(21)23)17(24)20-12-10-19-22(11-12)15-7-4-3-6-13(15)18/h3-4,6-7,10-11,14H,2,5,8-9H2,1H3,(H,20,24)
InChIKeyBGNWVGYJFDFXBP-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.35
Rot. Bonds5

About N-[1-(2-fluorophenyl)pyrazol-4-yl]-2-(2-oxopyrrolidin-1-yl)butanamide

N-[1-(2-fluorophenyl)pyrazol-4-yl]-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 71921698) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)pyrazol-4-yl]-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)pyrazol-4-yl]-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID71921698
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-[1-(2-fluorophenyl)pyrazol-4-yl]-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)Nc1cnn(-c2ccccc2F)c1)N1CCCC1=O
InChIInChI=1S/C17H19FN4O2/c1-2-14(21-9-5-8-16(21)23)17(24)20-12-10-19-22(11-12)15-7-4-3-6-13(15)18/h3-4,6-7,10-11,14H,2,5,8-9H2,1H3,(H,20,24)
InChIKeyBGNWVGYJFDFXBP-UHFFFAOYSA-N
XLogP2.35
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-fluorophenyl)pyrazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 71856412
(2S)-2-amino-N-[1-(2-fluorophenyl)pyrazol-4-yl]-3-methylbutanamide
CID 119329634
(2S)-N-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 122441072
(2S)-N-[3-[(R)-methylsulfinyl]phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 95943755
N-[1-(2-fluorophenyl)pyrazol-4-yl]cyclohexanecarboxamide
CID 141275060
(2R)-N-(5-chloro-1,3-thiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 96525370
1-ethyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 71921815
2-(2-oxopyrrolidin-1-yl)-N-(5-pyridin-2-yl-2-pyridinyl)butanamide
CID 84594786
N-(3-bromo-2-pyridinyl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 71980567
(2R)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 95906047
(2R)-N-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide
CID 135817952
1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 155949446

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)pyrazol-4-yl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-[1-(2-fluorophenyl)pyrazol-4-yl]-2-(2-oxopyrrolidin-1-yl)butanamide (CID 71921698) is N-[1-(2-fluorophenyl)pyrazol-4-yl]-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)pyrazol-4-yl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-[1-(2-fluorophenyl)pyrazol-4-yl]-2-(2-oxopyrrolidin-1-yl)butanamide is CCC(C(=O)Nc1cnn(-c2ccccc2F)c1)N1CCCC1=O.
What is the InChIKey of N-[1-(2-fluorophenyl)pyrazol-4-yl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is BGNWVGYJFDFXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-2-14(21-9-5-8-16(21)23)17(24)20-12-10-19-22(11-12)15-7-4-3-6-13(15)18/h3-4,6-7,10-11,14H,2,5,8-9H2,1H3,(H,20,24).
What are the key properties of N-[1-(2-fluorophenyl)pyrazol-4-yl]-2-(2-oxopyrrolidin-1-yl)butanamide?
N-[1-(2-fluorophenyl)pyrazol-4-yl]-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 330.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)pyrazol-4-yl]-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 71921698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).