2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid

C10H11N3O4 — CID 61018256

IUPAC2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(N2C(=O)CCCC2=O)cn1
InChIInChI=1S/C10H11N3O4/c14-8-2-1-3-9(15)13(8)7-4-11-12(5-7)6-10(16)17/h4-5H,1-3,6H2,(H,16,17)
InChIKeyMCPYFDOMNMTAQQ-UHFFFAOYSA-N
MW237.21 g/mol
LogP0.01
Rot. Bonds3

About 2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid

2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid (PubChem CID 61018256) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is 2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid
PubChem CID61018256
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(N2C(=O)CCCC2=O)cn1
InChIInChI=1S/C10H11N3O4/c14-8-2-1-3-9(15)13(8)7-4-11-12(5-7)6-10(16)17/h4-5H,1-3,6H2,(H,16,17)
InChIKeyMCPYFDOMNMTAQQ-UHFFFAOYSA-N
XLogP0.01
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2,5-dioxoimidazolidin-1-yl)pyrazol-1-yl]acetic acid
CID 107841970
2-[4-(3,5-dioxo-1,2,4-triazolidin-4-yl)pyrazol-1-yl]acetic acid
CID 107409443
2-[4-(2-azaspiro[3.6]decan-2-yl)pyrazol-1-yl]acetic acid
CID 79694737
2-[4-(dicyclohexylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19500473
2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid
CID 61018747
2-(4-thiophen-3-ylpyrazol-1-yl)acetic acid
CID 121213998
2-[4-(4-hydroxyphenyl)pyrazol-1-yl]acetic acid
CID 84735122
2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetic acid
CID 20887528
2-[9-[(1-ethylpyrazol-4-yl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
CID 70782523
2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19621986
2-chloro-5-(2,6-dioxopiperidin-1-yl)benzoic acid
CID 50888852
2-[4-(4-aminophenyl)pyrazol-1-yl]acetic acid
CID 63328089

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid (CID 61018256) is 2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(N2C(=O)CCCC2=O)cn1.
What is the InChIKey of 2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid?
The InChIKey is MCPYFDOMNMTAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c14-8-2-1-3-9(15)13(8)7-4-11-12(5-7)6-10(16)17/h4-5H,1-3,6H2,(H,16,17).
What are the key properties of 2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid?
2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid has a molecular weight of 237.21 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dioxopiperidin-1-yl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61018256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).