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

C9H12N2O3 — CID 112715479

IUPAC4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid
SMILESCc1[nH]nc2c1C(O)(C(=O)O)C(C)C2
InChIInChI=1S/C9H12N2O3/c1-4-3-6-7(5(2)10-11-6)9(4,14)8(12)13/h4,14H,3H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyKKHSYVIRMUURDL-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.18
Rot. Bonds1

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

4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid (PubChem CID 112715479) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid
PubChem CID112715479
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid
SMILESCc1[nH]nc2c1C(O)(C(=O)O)C(C)C2
InChIInChI=1S/C9H12N2O3/c1-4-3-6-7(5(2)10-11-6)9(4,14)8(12)13/h4,14H,3H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyKKHSYVIRMUURDL-UHFFFAOYSA-N
XLogP0.18
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-Propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxylic acid
CID 82401226
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
3-Propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83861648
2-(3-Propan-2-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid
CID 83861652

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid?
The IUPAC name of 4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid (CID 112715479) is 4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid is Cc1[nH]nc2c1C(O)(C(=O)O)C(C)C2.
What is the InChIKey of 4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid?
The InChIKey is KKHSYVIRMUURDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-4-3-6-7(5(2)10-11-6)9(4,14)8(12)13/h4,14H,3H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid?
4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.18, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-dimethyl-5,6-dihydro-2H-cyclopenta[c]pyrazole-4-carboxylic acid is sourced from PubChem (CID 112715479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).