2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetic acid

C8H10N2O3 — CID 66023379

IUPAC2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetic acid
SMILESO=C(O)Cn1[nH]c2c(c1=O)CCC2
InChIInChI=1S/C8H10N2O3/c11-7(12)4-10-8(13)5-2-1-3-6(5)9-10/h9H,1-4H2,(H,11,12)
InChIKeyIIUOKERCHOJISV-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.25
Rot. Bonds2

About 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetic acid

2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetic acid (PubChem CID 66023379) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetic acid
PubChem CID66023379
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetic acid
SMILESO=C(O)Cn1[nH]c2c(c1=O)CCC2
InChIInChI=1S/C8H10N2O3/c11-7(12)4-10-8(13)5-2-1-3-6(5)9-10/h9H,1-4H2,(H,11,12)
InChIKeyIIUOKERCHOJISV-UHFFFAOYSA-N
XLogP-0.25
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetic acid?
The IUPAC name of 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetic acid (CID 66023379) is 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetic acid.
What is the SMILES notation for 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetic acid?
The canonical SMILES for 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetic acid is O=C(O)Cn1[nH]c2c(c1=O)CCC2.
What is the InChIKey of 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetic acid?
The InChIKey is IIUOKERCHOJISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-7(12)4-10-8(13)5-2-1-3-6(5)9-10/h9H,1-4H2,(H,11,12).
What are the key properties of 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetic acid?
2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetic acid has a molecular weight of 182.18 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetic acid is sourced from PubChem (CID 66023379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).