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

C11H14N2O3 — CID 83910743

IUPAC3-cyclopropyl-4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid
SMILESCn1nc2c(c1C1CC1)C(O)(C(=O)O)CC2
InChIInChI=1S/C11H14N2O3/c1-13-9(6-2-3-6)8-7(12-13)4-5-11(8,16)10(14)15/h6,16H,2-5H2,1H3,(H,14,15)
InChIKeyKXSMAASJYWLBOD-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.52
Rot. Bonds2

About 3-cyclopropyl-4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid

3-cyclopropyl-4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid (PubChem CID 83910743) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-cyclopropyl-4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid
PubChem CID83910743
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-cyclopropyl-4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid
SMILESCn1nc2c(c1C1CC1)C(O)(C(=O)O)CC2
InChIInChI=1S/C11H14N2O3/c1-13-9(6-2-3-6)8-7(12-13)4-5-11(8,16)10(14)15/h6,16H,2-5H2,1H3,(H,14,15)
InChIKeyKXSMAASJYWLBOD-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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Related Compounds

3-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83861558
1,3-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
CID 83861585
3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83861592
2-(3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid
CID 83861596
1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83861599
2,3-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83906435
4-Hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83906646
4-Hydroxy-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid
CID 83906647
4-Hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid
CID 83907961
4-Hydroxy-2,3-dimethyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83907962
3-cyclopropyl-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83908897
3-cyclopropyl-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83909195

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid?
The IUPAC name of 3-cyclopropyl-4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid (CID 83910743) is 3-cyclopropyl-4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid is Cn1nc2c(c1C1CC1)C(O)(C(=O)O)CC2.
What is the InChIKey of 3-cyclopropyl-4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid?
The InChIKey is KXSMAASJYWLBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-13-9(6-2-3-6)8-7(12-13)4-5-11(8,16)10(14)15/h6,16H,2-5H2,1H3,(H,14,15).
What are the key properties of 3-cyclopropyl-4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid?
3-cyclopropyl-4-hydroxy-2-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-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid is sourced from PubChem (CID 83910743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).