3-oxo-2,4,5,6-tetrahydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid

C7H8N2O3 — CID 82413471

IUPAC3-oxo-2,4,5,6-tetrahydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid
SMILESO=C(O)C1CCc2[nH][nH]c(=O)c21
InChIInChI=1S/C7H8N2O3/c10-6-5-3(7(11)12)1-2-4(5)8-9-6/h3H,1-2H2,(H,11,12)(H2,8,9,10)
InChIKeyRVNCLNLZRSGQBO-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.18
Rot. Bonds1

About 3-oxo-2,4,5,6-tetrahydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid

3-oxo-2,4,5,6-tetrahydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid (PubChem CID 82413471) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 3-oxo-2,4,5,6-tetrahydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-oxo-2,4,5,6-tetrahydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid
PubChem CID82413471
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name3-oxo-2,4,5,6-tetrahydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid
SMILESO=C(O)C1CCc2[nH][nH]c(=O)c21
InChIInChI=1S/C7H8N2O3/c10-6-5-3(7(11)12)1-2-4(5)8-9-6/h3H,1-2H2,(H,11,12)(H2,8,9,10)
InChIKeyRVNCLNLZRSGQBO-UHFFFAOYSA-N
XLogP-0.18
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-oxo-1,2,4,5,6,7-hexahydroindazole-5-carboxylic acid
CID 82407989
(3R)-2,6-dioxopiperidine-3-carboxylic acid
CID 92974822
4-cyclopropyl-5-oxo-1,2-dihydropyrazole-3-carboxylic acid
CID 82372812
2-(3-oxo-1,2,4,5,6,7-hexahydroindazol-5-yl)acetic acid
CID 82399790
5,6-dimethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid
CID 83840191
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid
CID 83835601
7-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid
CID 83840186
(1S)-7-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 124547289
(3R)-2-oxopyrrolidine-3-carboxylic acid
CID 92974819
3-oxo-1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridine-5-carboxylic acid
CID 55296929
7-(dimethylamino)-2,3-dihydro-1H-indene-1-carboxylic acid
CID 112709090
12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-5-carboxylic acid
CID 117275173

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2,4,5,6-tetrahydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid?
The IUPAC name of 3-oxo-2,4,5,6-tetrahydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid (CID 82413471) is 3-oxo-2,4,5,6-tetrahydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-oxo-2,4,5,6-tetrahydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid?
The canonical SMILES for 3-oxo-2,4,5,6-tetrahydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid is O=C(O)C1CCc2[nH][nH]c(=O)c21.
What is the InChIKey of 3-oxo-2,4,5,6-tetrahydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid?
The InChIKey is RVNCLNLZRSGQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c10-6-5-3(7(11)12)1-2-4(5)8-9-6/h3H,1-2H2,(H,11,12)(H2,8,9,10).
What are the key properties of 3-oxo-2,4,5,6-tetrahydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid?
3-oxo-2,4,5,6-tetrahydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid has a molecular weight of 168.15 g/mol, XLogP of -0.18, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2,4,5,6-tetrahydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid is sourced from PubChem (CID 82413471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).