4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid

C9H12N2O3 — CID 83907961

IUPAC4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid
SMILESCc1nn(C)c2c1C(O)(C(=O)O)CC2
InChIInChI=1S/C9H12N2O3/c1-5-7-6(11(2)10-5)3-4-9(7,14)8(12)13/h14H,3-4H2,1-2H3,(H,12,13)
InChIKeyONMBSYDSBDDDLW-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.05
Rot. Bonds1

About 4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid

4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid (PubChem CID 83907961) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid
PubChem CID83907961
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid
SMILESCc1nn(C)c2c1C(O)(C(=O)O)CC2
InChIInChI=1S/C9H12N2O3/c1-5-7-6(11(2)10-5)3-4-9(7,14)8(12)13/h14H,3-4H2,1-2H3,(H,12,13)
InChIKeyONMBSYDSBDDDLW-UHFFFAOYSA-N
XLogP-0.05
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83861572
2-fluoro-2-{2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}acetic acid
CID 165493434
3-methyl-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
CID 83861440
3-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83861558
2-(3-ethyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid
CID 83861562
1,3-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
CID 83861585
2-(1,3-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid
CID 83861589
3-cyclopropyl-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83861592
1-methyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83861599
2-{1-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}acetic acid
CID 83862236
2-(2-Methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)acetic acid
CID 83862497
2-(4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetic acid
CID 83863531

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid (CID 83907961) is 4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid is Cc1nn(C)c2c1C(O)(C(=O)O)CC2.
What is the InChIKey of 4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid?
The InChIKey is ONMBSYDSBDDDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5-7-6(11(2)10-5)3-4-9(7,14)8(12)13/h14H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid?
4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid is sourced from PubChem (CID 83907961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).