1-[4-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-4-oxobutyl]-4,6-dimethylpyrimidin-2-one

C24H28N6O3 — CID 110239747

IUPAC1-[4-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-4-oxobutyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CCCC(=O)N2CCC(C(=O)c3cnn(-c4ccccc4)c3N)C2)c(=O)n1
InChIInChI=1S/C24H28N6O3/c1-16-13-17(2)29(24(33)27-16)11-6-9-21(31)28-12-10-18(15-28)22(32)20-14-26-30(23(20)25)19-7-4-3-5-8-19/h3-5,7-8,13-14,18H,6,9-12,15,25H2,1-2H3
InChIKeyFSEDMLUIAHOTJI-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.14
Rot. Bonds7

About 1-[4-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-4-oxobutyl]-4,6-dimethylpyrimidin-2-one

1-[4-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-4-oxobutyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 110239747) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 1-[4-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-4-oxobutyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[4-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-4-oxobutyl]-4,6-dimethylpyrimidin-2-one
PubChem CID110239747
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name1-[4-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-4-oxobutyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CCCC(=O)N2CCC(C(=O)c3cnn(-c4ccccc4)c3N)C2)c(=O)n1
InChIInChI=1S/C24H28N6O3/c1-16-13-17(2)29(24(33)27-16)11-6-9-21(31)28-12-10-18(15-28)22(32)20-14-26-30(23(20)25)19-7-4-3-5-8-19/h3-5,7-8,13-14,18H,6,9-12,15,25H2,1-2H3
InChIKeyFSEDMLUIAHOTJI-UHFFFAOYSA-N
XLogP2.14
TPSA116.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 110239744
1-[(3S)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 92603392
1-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 110239743
1-[(3S)-3-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 92558455
1-[(3R)-3-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 92558500
1-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 110239741
(5-amino-1-phenylpyrazol-4-yl)-(1-benzoylpyrrolidin-3-yl)methanone
CID 110239730
1-[2-[2-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 110239748
1-[4-(5-benzyl-1,5-diazacycloundec-1-yl)-4-oxobutyl]-4,6-dimethylpyrimidin-2-one
CID 133066256
1-[(3R)-3-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one
CID 92558506
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-[(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-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-4-oxobutyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[4-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-4-oxobutyl]-4,6-dimethylpyrimidin-2-one (CID 110239747) is 1-[4-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-4-oxobutyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[4-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-4-oxobutyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[4-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-4-oxobutyl]-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(CCCC(=O)N2CCC(C(=O)c3cnn(-c4ccccc4)c3N)C2)c(=O)n1.
What is the InChIKey of 1-[4-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-4-oxobutyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is FSEDMLUIAHOTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-16-13-17(2)29(24(33)27-16)11-6-9-21(31)28-12-10-18(15-28)22(32)20-14-26-30(23(20)25)19-7-4-3-5-8-19/h3-5,7-8,13-14,18H,6,9-12,15,25H2,1-2H3.
What are the key properties of 1-[4-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-4-oxobutyl]-4,6-dimethylpyrimidin-2-one?
1-[4-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-4-oxobutyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 448.53 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-4-oxobutyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 110239747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).