2-methyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid

C8H10N2O3 — CID 82408002

IUPAC2-methyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
SMILESCn1[nH]c2c(c1=O)C(C(=O)O)CC2
InChIInChI=1S/C8H10N2O3/c1-10-7(11)6-4(8(12)13)2-3-5(6)9-10/h4,9H,2-3H2,1H3,(H,12,13)
InChIKeyGSFRWWDSUSLKLV-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.17
Rot. Bonds1

About 2-methyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid

2-methyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid (PubChem CID 82408002) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-methyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
PubChem CID82408002
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-methyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
SMILESCn1[nH]c2c(c1=O)C(C(=O)O)CC2
InChIInChI=1S/C8H10N2O3/c1-10-7(11)6-4(8(12)13)2-3-5(6)9-10/h4,9H,2-3H2,1H3,(H,12,13)
InChIKeyGSFRWWDSUSLKLV-UHFFFAOYSA-N
XLogP-0.17
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid?
The IUPAC name of 2-methyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid (CID 82408002) is 2-methyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid is Cn1[nH]c2c(c1=O)C(C(=O)O)CC2.
What is the InChIKey of 2-methyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid?
The InChIKey is GSFRWWDSUSLKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-10-7(11)6-4(8(12)13)2-3-5(6)9-10/h4,9H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-methyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid?
2-methyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid is sourced from PubChem (CID 82408002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).