3-cyclopropyl-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid

C11H14N2O3 — CID 83910742

IUPAC3-cyclopropyl-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid
SMILESCn1nc(C2CC2)c2c1CCC2(O)C(=O)O
InChIInChI=1S/C11H14N2O3/c1-13-7-4-5-11(16,10(14)15)8(7)9(12-13)6-2-3-6/h6,16H,2-5H2,1H3,(H,14,15)
InChIKeyMOMUGIJGGWEDPK-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.52
Rot. Bonds2

About 3-cyclopropyl-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid

3-cyclopropyl-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid (PubChem CID 83910742) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-cyclopropyl-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid
PubChem CID83910742
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-cyclopropyl-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid
SMILESCn1nc(C2CC2)c2c1CCC2(O)C(=O)O
InChIInChI=1S/C11H14N2O3/c1-13-7-4-5-11(16,10(14)15)8(7)9(12-13)6-2-3-6/h6,16H,2-5H2,1H3,(H,14,15)
InChIKeyMOMUGIJGGWEDPK-UHFFFAOYSA-N
XLogP0.52
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid?
The IUPAC name of 3-cyclopropyl-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid (CID 83910742) is 3-cyclopropyl-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid is Cn1nc(C2CC2)c2c1CCC2(O)C(=O)O.
What is the InChIKey of 3-cyclopropyl-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid?
The InChIKey is MOMUGIJGGWEDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-13-7-4-5-11(16,10(14)15)8(7)9(12-13)6-2-3-6/h6,16H,2-5H2,1H3,(H,14,15).
What are the key properties of 3-cyclopropyl-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid?
3-cyclopropyl-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-hydroxy-1-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid is sourced from PubChem (CID 83910742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).