1-[2-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

C21H25N5O3 — CID 92575852

IUPAC1-[2-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESNc1c(C(=O)[C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)cnn1-c1ccccc1
InChIInChI=1S/C21H25N5O3/c22-21-17(12-23-26(21)16-7-2-1-3-8-16)20(29)15-6-4-10-24(13-15)19(28)14-25-11-5-9-18(25)27/h1-3,7-8,12,15H,4-6,9-11,13-14,22H2/t15-/m1/s1
InChIKeyVBYUJEPPLYQANJ-OAHLLOKOSA-N
MW395.46 g/mol
LogP1.50
Rot. Bonds5

About 1-[2-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 92575852) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-[2-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID92575852
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name1-[2-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESNc1c(C(=O)[C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)cnn1-c1ccccc1
InChIInChI=1S/C21H25N5O3/c22-21-17(12-23-26(21)16-7-2-1-3-8-16)20(29)15-6-4-10-24(13-15)19(28)14-25-11-5-9-18(25)27/h1-3,7-8,12,15H,4-6,9-11,13-14,22H2/t15-/m1/s1
InChIKeyVBYUJEPPLYQANJ-OAHLLOKOSA-N
XLogP1.50
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[2-[2-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 110239748
1-[(3S)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 92603392
1-[2-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 110239848
5-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 92566902
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(1-benzoylpiperidin-3-yl)methanone
CID 110239672
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[(3S)-1-benzoylpiperidin-3-yl]methanone
CID 92573997
(5-amino-1-phenylpyrazol-4-yl)-(1-benzoylpyrrolidin-3-yl)methanone
CID 110239730
1-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-2-methoxyethanone
CID 92610733
(5-amino-1-phenylpyrazol-4-yl)-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methanone
CID 110239660
1-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-methoxypropan-1-one
CID 92610978
1-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 110239743
1-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 110239744

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (CID 92575852) is 1-[2-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is Nc1c(C(=O)[C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)cnn1-c1ccccc1.
What is the InChIKey of 1-[2-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is VBYUJEPPLYQANJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25N5O3/c22-21-17(12-23-26(21)16-7-2-1-3-8-16)20(29)15-6-4-10-24(13-15)19(28)14-25-11-5-9-18(25)27/h1-3,7-8,12,15H,4-6,9-11,13-14,22H2/t15-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 395.46 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 92575852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).