2-(4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid

C9H12N2O3 — CID 83907955

IUPAC2-(4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid
SMILESCc1[nH]nc2c1C(O)(CC(=O)O)CC2
InChIInChI=1S/C9H12N2O3/c1-5-8-6(11-10-5)2-3-9(8,14)4-7(12)13/h14H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyGEJKTMMCSGVTJG-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.33
Rot. Bonds2

About 2-(4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid

2-(4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid (PubChem CID 83907955) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid
PubChem CID83907955
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid
SMILESCc1[nH]nc2c1C(O)(CC(=O)O)CC2
InChIInChI=1S/C9H12N2O3/c1-5-8-6(11-10-5)2-3-9(8,14)4-7(12)13/h14H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyGEJKTMMCSGVTJG-UHFFFAOYSA-N
XLogP0.33
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(Trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl]acetic acid
CID 83861629
2-(3-Cyano-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid
CID 89350704
4-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}butanoic acid
CID 82401217
2-(3-Ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-5-yl)acetic acid
CID 82401229
2-(3-Methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl)acetic acid
CID 82409108
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-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
2-(3-Cyclopropyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)acetic acid
CID 83861645
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 2-(4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid (CID 83907955) is 2-(4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid is Cc1[nH]nc2c1C(O)(CC(=O)O)CC2.
What is the InChIKey of 2-(4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid?
The InChIKey is GEJKTMMCSGVTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5-8-6(11-10-5)2-3-9(8,14)4-7(12)13/h14H,2-4H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-(4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid?
2-(4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid has a molecular weight of 196.21 g/mol, XLogP of 0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methyl-5,6-dihydro-2H-cyclopenta[c]pyrazol-4-yl)acetic acid is sourced from PubChem (CID 83907955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).