4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid

C7H8N2O3 — CID 83863534

IUPAC4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1C(O)CC2
InChIInChI=1S/C7H8N2O3/c10-4-2-1-3-5(4)6(7(11)12)9-8-3/h4,10H,1-2H2,(H,8,9)(H,11,12)
InChIKeyONEUKRCICCVBAB-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.09
Rot. Bonds1

About 4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid

4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid (PubChem CID 83863534) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
PubChem CID83863534
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1C(O)CC2
InChIInChI=1S/C7H8N2O3/c10-4-2-1-3-5(4)6(7(11)12)9-8-3/h4,10H,1-2H2,(H,8,9)(H,11,12)
InChIKeyONEUKRCICCVBAB-UHFFFAOYSA-N
XLogP0.09
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

MK-1903
CID 49763030
1,4,5,6-Tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
CID 776416
5-Ethyl-4-methyl-1H-pyrazole-3-carboxylic acid
CID 3159638
8,9-Diazatricyclo[4.3.0.0(2)]nona-1(6),7-diene-7-carboxylic acid
CID 11607970
Methyl 1,4,5,6-tetrahydrocyclopenta(c)pyrazole-3-carboxylate
CID 2772075
5-Propyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
CID 49862072
5-Isopropyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
CID 49862073
6-Methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic Acid
CID 11845295
Ethyl 1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylate
CID 23005643
6-Propyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
CID 44441316
2,6-Dihydro-6-methyl-4h-furo[3,4-c]pyrazole-3-carboxylic acid
CID 44441320
6-ethyl-4,6-dihydro-2H-furo[3,4-c]pyrazole-3-carboxylic acid
CID 44441321

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid?
The IUPAC name of 4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid (CID 83863534) is 4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid is O=C(O)c1n[nH]c2c1C(O)CC2.
What is the InChIKey of 4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid?
The InChIKey is ONEUKRCICCVBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c10-4-2-1-3-5(4)6(7(11)12)9-8-3/h4,10H,1-2H2,(H,8,9)(H,11,12).
What are the key properties of 4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid?
4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid has a molecular weight of 168.15 g/mol, XLogP of 0.09, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid is sourced from PubChem (CID 83863534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).