1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylic acid

C13H19N3O3 — CID 168690152

IUPAC1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(C)C(C)n1nccc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C13H19N3O3/c1-8(2)9(3)16-11(4-5-14-16)15-7-10(13(18)19)6-12(15)17/h4-5,8-10H,6-7H2,1-3H3,(H,18,19)
InChIKeyWBAJHORGDWWUCK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.54
Rot. Bonds4

About 1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylic acid

1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168690152) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168690152
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(C)C(C)n1nccc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C13H19N3O3/c1-8(2)9(3)16-11(4-5-14-16)15-7-10(13(18)19)6-12(15)17/h4-5,8-10H,6-7H2,1-3H3,(H,18,19)
InChIKeyWBAJHORGDWWUCK-UHFFFAOYSA-N
XLogP1.54
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672465
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690509
5-oxo-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-3-carboxylic acid
CID 168690508
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4739040
5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylic acid
CID 50888665
1-(2-butan-2-ylpyrazol-3-yl)-4-ethenylpyrrolidin-2-one
CID 168683601
1-(3-amino-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692272
1-(2-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692273
5-oxo-1-pyrimidin-5-ylpyrrolidine-3-carboxylic acid
CID 82672144
(3R)-5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxylic acid
CID 28875657
2-(3-methylbutan-2-yl)pyridazin-3-one
CID 58125063

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylic acid (CID 168690152) is 1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylic acid is CC(C)C(C)n1nccc1N1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is WBAJHORGDWWUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(2)9(3)16-11(4-5-14-16)15-7-10(13(18)19)6-12(15)17/h4-5,8-10H,6-7H2,1-3H3,(H,18,19).
What are the key properties of 1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylic acid?
1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168690152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).