2-(2-hydroxyethyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid

C9H13N3O3 — CID 105464804

IUPAC2-(2-hydroxyethyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid
SMILESCN1Cc2nn(CCO)c(C(=O)O)c2C1
InChIInChI=1S/C9H13N3O3/c1-11-4-6-7(5-11)10-12(2-3-13)8(6)9(14)15/h13H,2-5H2,1H3,(H,14,15)
InChIKeyHVDFDYZFOHFHRV-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.48
Rot. Bonds3

About 2-(2-hydroxyethyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid

2-(2-hydroxyethyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid (PubChem CID 105464804) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid
PubChem CID105464804
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-(2-hydroxyethyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid
SMILESCN1Cc2nn(CCO)c(C(=O)O)c2C1
InChIInChI=1S/C9H13N3O3/c1-11-4-6-7(5-11)10-12(2-3-13)8(6)9(14)15/h13H,2-5H2,1H3,(H,14,15)
InChIKeyHVDFDYZFOHFHRV-UHFFFAOYSA-N
XLogP-0.48
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 105499255
1-(2-hydroxyethyl)-4-methylpyrazole-5-carboxylic acid
CID 130543824
(6R)-2-but-3-ynyl-6-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid
CID 155343445
ethyl 1-(2-hydroxyethyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 82585817
methyl 2-(2-hydroxyethyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate
CID 105482876
2-ethyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylic acid
CID 105439884
2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
CID 15008414
2-(3-amino-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl)ethanol
CID 105464329
2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 105448944
2-(2,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)acetic acid
CID 83862715
5-ethyl-1-(2-hydroxyethyl)pyrazole-3-carboxylic acid
CID 136574698
4-chloro-1-(2-fluoroethyl)-3-methylpyrazole-5-carboxylic acid
CID 97182114

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid?
The IUPAC name of 2-(2-hydroxyethyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid (CID 105464804) is 2-(2-hydroxyethyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-(2-hydroxyethyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-(2-hydroxyethyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid is CN1Cc2nn(CCO)c(C(=O)O)c2C1.
What is the InChIKey of 2-(2-hydroxyethyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid?
The InChIKey is HVDFDYZFOHFHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-11-4-6-7(5-11)10-12(2-3-13)8(6)9(14)15/h13H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-(2-hydroxyethyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid?
2-(2-hydroxyethyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid is sourced from PubChem (CID 105464804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).