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

C8H10N2O3 — CID 112714778

IUPAC4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid
SMILESCC1Cc2[nH]ncc2C1(O)C(=O)O
InChIInChI=1S/C8H10N2O3/c1-4-2-6-5(3-9-10-6)8(4,13)7(11)12/h3-4,13H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyPJEXGKPSURBJPS-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.13
Rot. Bonds1

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

4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid (PubChem CID 112714778) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid
PubChem CID112714778
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid
SMILESCC1Cc2[nH]ncc2C1(O)C(=O)O
InChIInChI=1S/C8H10N2O3/c1-4-2-6-5(3-9-10-6)8(4,13)7(11)12/h3-4,13H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyPJEXGKPSURBJPS-UHFFFAOYSA-N
XLogP-0.13
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2H,4H,5H,6H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 82417189
5-Methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-4-carboxylic acid
CID 83905522
4-amino-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid
CID 83905547
4-hydroxy-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid
CID 83905660
2-(4-hydroxy-5,6-dihydro-1H-cyclopenta[d]pyrazol-4-yl)acetic acid
CID 83906643
4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83906644
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
3-cyclopropyl-4-hydroxy-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83909195
4-hydroxy-3-propan-2-yl-5,6-dihydro-1H-cyclopenta[c]pyrazole-4-carboxylic acid
CID 83909536
2-(5-Methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)acetic acid
CID 112714669
4-amino-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid
CID 112714721

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid?
The IUPAC name of 4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid (CID 112714778) is 4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid is CC1Cc2[nH]ncc2C1(O)C(=O)O.
What is the InChIKey of 4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid?
The InChIKey is PJEXGKPSURBJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-4-2-6-5(3-9-10-6)8(4,13)7(11)12/h3-4,13H,2H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid?
4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of -0.13, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid is sourced from PubChem (CID 112714778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).