4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid

C8H10N2O3 — CID 83906646

IUPAC4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid
SMILESCn1cc2c(n1)CCC2(O)C(=O)O
InChIInChI=1S/C8H10N2O3/c1-10-4-5-6(9-10)2-3-8(5,13)7(11)12/h4,13H,2-3H2,1H3,(H,11,12)
InChIKeyBQDPWXMXZSFTHR-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.36
Rot. Bonds1

About 4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid

4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid (PubChem CID 83906646) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid
PubChem CID83906646
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid
SMILESCn1cc2c(n1)CCC2(O)C(=O)O
InChIInChI=1S/C8H10N2O3/c1-10-4-5-6(9-10)2-3-8(5,13)7(11)12/h4,13H,2-3H2,1H3,(H,11,12)
InChIKeyBQDPWXMXZSFTHR-UHFFFAOYSA-N
XLogP-0.36
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid?
The IUPAC name of 4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid (CID 83906646) is 4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid is Cn1cc2c(n1)CCC2(O)C(=O)O.
What is the InChIKey of 4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid?
The InChIKey is BQDPWXMXZSFTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-10-4-5-6(9-10)2-3-8(5,13)7(11)12/h4,13H,2-3H2,1H3,(H,11,12).
What are the key properties of 4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid?
4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid is sourced from PubChem (CID 83906646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).