4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid

C8H10N2O3 — CID 83863529

IUPAC4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)c2c1CCC2O
InChIInChI=1S/C8H10N2O3/c1-10-4-2-3-5(11)6(4)7(9-10)8(12)13/h5,11H,2-3H2,1H3,(H,12,13)
InChIKeyYKELXRMINYMLAR-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.10
Rot. Bonds1

About 4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid

4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid (PubChem CID 83863529) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
PubChem CID83863529
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)c2c1CCC2O
InChIInChI=1S/C8H10N2O3/c1-10-4-2-3-5(11)6(4)7(9-10)8(12)13/h5,11H,2-3H2,1H3,(H,12,13)
InChIKeyYKELXRMINYMLAR-UHFFFAOYSA-N
XLogP0.10
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 ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid
CID 15008414
1-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid
CID 24271363
2-Methyl-5-propyl-4-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 151660212
1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 176248383
ethyl 5-fluoro-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 83854578
3-ethyl-1,4-dimethyl-1H-pyrazole-5-carboxylic acid
CID 6485554
2,6-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
CID 14852813
Ethyl 2,4,5,6-tetrahydro-2-methylcyclopenta[c]pyrazole-3-carboxylate
CID 14852814
ethyl 2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate
CID 15751952
1,4-Dimethyl-5-propylpyrazole-3-carboxylic acid
CID 20666344
2-Ethyl-6,6-dimethyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
CID 45094879
2-Methylspiro[4,5-dihydrocyclopenta[c]pyrazole-6,1'-cyclohexane]-3-carboxylic acid
CID 58425465

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid?
The IUPAC name of 4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid (CID 83863529) is 4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid is Cn1nc(C(=O)O)c2c1CCC2O.
What is the InChIKey of 4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid?
The InChIKey is YKELXRMINYMLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-10-4-2-3-5(11)6(4)7(9-10)8(12)13/h5,11H,2-3H2,1H3,(H,12,13).
What are the key properties of 4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid?
4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid is sourced from PubChem (CID 83863529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).