4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid

C8H10N2O3 — CID 83906644

IUPAC4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid
SMILESCc1[nH]nc2c1C(O)(C(=O)O)CC2
InChIInChI=1S/C8H10N2O3/c1-4-6-5(10-9-4)2-3-8(6,13)7(11)12/h13H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyPGPXMQRICIAYRJ-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.06
Rot. Bonds1

About 4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid

4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid (PubChem CID 83906644) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid
PubChem CID83906644
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid
SMILESCc1[nH]nc2c1C(O)(C(=O)O)CC2
InChIInChI=1S/C8H10N2O3/c1-4-6-5(10-9-4)2-3-8(6,13)7(11)12/h13H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyPGPXMQRICIAYRJ-UHFFFAOYSA-N
XLogP-0.06
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 ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}acetic acid
CID 83858867
3-(Trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83861625
4-Methyl-1,4,5,6-tetrahydrocyclopenta[C]pyrazole-3-carboxylic acid
CID 55265289
2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}propanoic acid
CID 82408991
2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}butanoic acid
CID 83858872
2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-3-methylbutanoic acid
CID 83858877
3-Ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83861612
2-(3-Ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid
CID 83861615
3-Tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83861618
3-Methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83861635
2-(3-Methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid
CID 83861638
3-Cyclopropyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83861641

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid?
The IUPAC name of 4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid (CID 83906644) is 4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid is Cc1[nH]nc2c1C(O)(C(=O)O)CC2.
What is the InChIKey of 4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid?
The InChIKey is PGPXMQRICIAYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-4-6-5(10-9-4)2-3-8(6,13)7(11)12/h13H,2-3H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid?
4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of -0.06, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid is sourced from PubChem (CID 83906644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).