N-[2-[2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide

C18H20FN5O3 — CID 110239838

IUPACN-[2-[2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC1C(=O)c1cnn(-c2cccc(F)c2)c1N
InChIInChI=1S/C18H20FN5O3/c1-11(25)21-10-16(26)23-7-3-6-15(23)17(27)14-9-22-24(18(14)20)13-5-2-4-12(19)8-13/h2,4-5,8-9,15H,3,6-7,10,20H2,1H3,(H,21,25)
InChIKeyAUHZJXLIMLEQKJ-UHFFFAOYSA-N
MW373.39 g/mol
LogP0.90
Rot. Bonds5

About N-[2-[2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide

N-[2-[2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 110239838) has the molecular formula C18H20FN5O3 and a molecular weight of 373.39 g/mol. Its IUPAC name is N-[2-[2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
PubChem CID110239838
Molecular FormulaC18H20FN5O3
Molecular Weight373.39 g/mol
Exact Mass373.16
IUPAC NameN-[2-[2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC1C(=O)c1cnn(-c2cccc(F)c2)c1N
InChIInChI=1S/C18H20FN5O3/c1-11(25)21-10-16(26)23-7-3-6-15(23)17(27)14-9-22-24(18(14)20)13-5-2-4-12(19)8-13/h2,4-5,8-9,15H,3,6-7,10,20H2,1H3,(H,21,25)
InChIKeyAUHZJXLIMLEQKJ-UHFFFAOYSA-N
XLogP0.90
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-amino-1-(3-fluorophenyl)pyrazol-4-yl]-[(2R)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]methanone
CID 92595192
[5-amino-1-(3-fluorophenyl)pyrazol-4-yl]-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]methanone
CID 110239831
4-[(2R)-2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 92567066
5-[2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 110239841
1-[(2R)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]propan-1-one
CID 92585244
1-[2-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 110239852
1-[2-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 110239848
1-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 110239851
1-[4-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
CID 110239849
[(2R)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 92558469
[(2S)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 92558468
1-[(2R)-2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one
CID 92565841

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide (CID 110239838) is N-[2-[2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCCC1C(=O)c1cnn(-c2cccc(F)c2)c1N.
What is the InChIKey of N-[2-[2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is AUHZJXLIMLEQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O3/c1-11(25)21-10-16(26)23-7-3-6-15(23)17(27)14-9-22-24(18(14)20)13-5-2-4-12(19)8-13/h2,4-5,8-9,15H,3,6-7,10,20H2,1H3,(H,21,25).
What are the key properties of N-[2-[2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide?
N-[2-[2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 373.39 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 110239838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).