1-[4-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-oxobutyl]pyrrolidin-2-one

C22H26FN5O3 — CID 110239849

IUPAC1-[4-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
SMILESNc1c(C(=O)C2CCCN2C(=O)CCCN2CCCC2=O)cnn1-c1ccc(F)cc1
InChIInChI=1S/C22H26FN5O3/c23-15-7-9-16(10-8-15)28-22(24)17(14-25-28)21(31)18-4-1-13-27(18)20(30)6-3-12-26-11-2-5-19(26)29/h7-10,14,18H,1-6,11-13,24H2
InChIKeySDIFAFGNWITQHM-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.17
Rot. Bonds7

About 1-[4-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-oxobutyl]pyrrolidin-2-one

1-[4-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-oxobutyl]pyrrolidin-2-one (PubChem CID 110239849) has the molecular formula C22H26FN5O3 and a molecular weight of 427.48 g/mol. Its IUPAC name is 1-[4-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-oxobutyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
PubChem CID110239849
Molecular FormulaC22H26FN5O3
Molecular Weight427.48 g/mol
Exact Mass427.20
IUPAC Name1-[4-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
SMILESNc1c(C(=O)C2CCCN2C(=O)CCCN2CCCC2=O)cnn1-c1ccc(F)cc1
InChIInChI=1S/C22H26FN5O3/c23-15-7-9-16(10-8-15)28-22(24)17(14-25-28)21(31)18-4-1-13-27(18)20(30)6-3-12-26-11-2-5-19(26)29/h7-10,14,18H,1-6,11-13,24H2
InChIKeySDIFAFGNWITQHM-UHFFFAOYSA-N
XLogP2.17
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 110239848
1-[2-[2-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 110239856
1-[2-[2-[(2S)-2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 92570369
1-[(2R)-2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one
CID 92565841
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-[2-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 110239852
1-[(2R)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]propan-1-one
CID 92585244
N-[2-[2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 110239838
[(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-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-methoxypropan-1-one
CID 92610978
1-[2-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 92575852

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-oxobutyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-oxobutyl]pyrrolidin-2-one (CID 110239849) is 1-[4-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-oxobutyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-oxobutyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-oxobutyl]pyrrolidin-2-one is Nc1c(C(=O)C2CCCN2C(=O)CCCN2CCCC2=O)cnn1-c1ccc(F)cc1.
What is the InChIKey of 1-[4-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-oxobutyl]pyrrolidin-2-one?
The InChIKey is SDIFAFGNWITQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O3/c23-15-7-9-16(10-8-15)28-22(24)17(14-25-28)21(31)18-4-1-13-27(18)20(30)6-3-12-26-11-2-5-19(26)29/h7-10,14,18H,1-6,11-13,24H2.
What are the key properties of 1-[4-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-oxobutyl]pyrrolidin-2-one?
1-[4-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-oxobutyl]pyrrolidin-2-one has a molecular weight of 427.48 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-oxobutyl]pyrrolidin-2-one is sourced from PubChem (CID 110239849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).