4-hydroxy-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid

C8H10N2O3 — CID 83906647

IUPAC4-hydroxy-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid
SMILESCn1ncc2c1CCC2(O)C(=O)O
InChIInChI=1S/C8H10N2O3/c1-10-6-2-3-8(13,7(11)12)5(6)4-9-10/h4,13H,2-3H2,1H3,(H,11,12)
InChIKeyYNIKNICJCLGJNM-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.36
Rot. Bonds1

About 4-hydroxy-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid

4-hydroxy-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid (PubChem CID 83906647) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid
PubChem CID83906647
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name4-hydroxy-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid
SMILESCn1ncc2c1CCC2(O)C(=O)O
InChIInChI=1S/C8H10N2O3/c1-10-6-2-3-8(13,7(11)12)5(6)4-9-10/h4,13H,2-3H2,1H3,(H,11,12)
InChIKeyYNIKNICJCLGJNM-UHFFFAOYSA-N
XLogP-0.36
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
CID 83861433
1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
CID 83861578
2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid
CID 83861582
4-hydroxy-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylic acid
CID 83905660
4-Amino-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83906476
4-Amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid
CID 83906477
4-Hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83906646
2-(4-Hydroxy-2-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl)acetic acid
CID 83907957
2-(4-Hydroxy-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl)acetic acid
CID 83907958
4-Hydroxy-1,3-dimethyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid
CID 83907961

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid (CID 83906647) is 4-hydroxy-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid is Cn1ncc2c1CCC2(O)C(=O)O.
What is the InChIKey of 4-hydroxy-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid?
The InChIKey is YNIKNICJCLGJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-10-6-2-3-8(13,7(11)12)5(6)4-9-10/h4,13H,2-3H2,1H3,(H,11,12).
What are the key properties of 4-hydroxy-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid?
4-hydroxy-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid is sourced from PubChem (CID 83906647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).