2-(4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid

C9H12N2O3 — CID 83907957

IUPAC2-(4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid
SMILESCn1cc2c(n1)CCC2(O)CC(=O)O
InChIInChI=1S/C9H12N2O3/c1-11-5-6-7(10-11)2-3-9(6,14)4-8(12)13/h5,14H,2-4H2,1H3,(H,12,13)
InChIKeyYAPZKSDPQQDDCH-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.03
Rot. Bonds2

About 2-(4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid

2-(4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid (PubChem CID 83907957) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid
PubChem CID83907957
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid
SMILESCn1cc2c(n1)CCC2(O)CC(=O)O
InChIInChI=1S/C9H12N2O3/c1-11-5-6-7(10-11)2-3-9(6,14)4-8(12)13/h5,14H,2-4H2,1H3,(H,12,13)
InChIKeyYAPZKSDPQQDDCH-UHFFFAOYSA-N
XLogP0.03
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Ethyl-1-methylpyrazol-4-yl)-2,2-difluoro-3-hydroxypropanoic acid
CID 112671100
3-(3-Ethyl-1-methylpyrazol-4-yl)-2-fluoro-3-hydroxypropanoic acid
CID 112671104
3-(1,3-dimethyl-1H-pyrazol-4-yl)-3-hydroxypropanoic acid
CID 80503430
3-(1,3-Dimethylpyrazol-4-yl)-3-hydroxybutanoic acid
CID 82398437
3-(1,5-Dimethylpyrazol-4-yl)-3-hydroxybutanoic acid
CID 82398438
2-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid
CID 82409114
2-Methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 82414342
2-[(1,3-Dimethylpyrazol-4-yl)-hydroxymethyl]hexanoic acid
CID 83093841
2-[(1,3-Dimethylpyrazol-4-yl)-hydroxymethyl]pentanoic acid
CID 83094050
3-(1,3-Dimethylpyrazol-4-yl)-3-hydroxy-2-methylpropanoic acid
CID 83094581
2-[(1,3-Dimethylpyrazol-4-yl)-hydroxymethyl]butanoic acid
CID 83094679
2-[(1,3-Dimethylpyrazol-4-yl)-hydroxymethyl]-3-methylbutanoic acid
CID 83094765

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid (CID 83907957) is 2-(4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid is Cn1cc2c(n1)CCC2(O)CC(=O)O.
What is the InChIKey of 2-(4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid?
The InChIKey is YAPZKSDPQQDDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-11-5-6-7(10-11)2-3-9(6,14)4-8(12)13/h5,14H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-(4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid?
2-(4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid has a molecular weight of 196.21 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid is sourced from PubChem (CID 83907957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).