1-(2-hydroxyethyl)-5-methylpyrazole-4-carboxylic acid

C7H10N2O3 — CID 16777620

IUPAC1-(2-hydroxyethyl)-5-methylpyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)cnn1CCO
InChIInChI=1S/C7H10N2O3/c1-5-6(7(11)12)4-8-9(5)2-3-10/h4,10H,2-3H2,1H3,(H,11,12)
InChIKeyYRMIFWXRFQVKGA-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.12
Rot. Bonds3

About 1-(2-hydroxyethyl)-5-methylpyrazole-4-carboxylic acid

1-(2-hydroxyethyl)-5-methylpyrazole-4-carboxylic acid (PubChem CID 16777620) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-5-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-5-methylpyrazole-4-carboxylic acid
PubChem CID16777620
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name1-(2-hydroxyethyl)-5-methylpyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)cnn1CCO
InChIInChI=1S/C7H10N2O3/c1-5-6(7(11)12)4-8-9(5)2-3-10/h4,10H,2-3H2,1H3,(H,11,12)
InChIKeyYRMIFWXRFQVKGA-UHFFFAOYSA-N
XLogP-0.12
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-5-methylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(2-hydroxyethyl)-5-methylpyrazole-4-carboxylic acid (CID 16777620) is 1-(2-hydroxyethyl)-5-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyethyl)-5-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyethyl)-5-methylpyrazole-4-carboxylic acid is Cc1c(C(=O)O)cnn1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-5-methylpyrazole-4-carboxylic acid?
The InChIKey is YRMIFWXRFQVKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-5-6(7(11)12)4-8-9(5)2-3-10/h4,10H,2-3H2,1H3,(H,11,12).
What are the key properties of 1-(2-hydroxyethyl)-5-methylpyrazole-4-carboxylic acid?
1-(2-hydroxyethyl)-5-methylpyrazole-4-carboxylic acid has a molecular weight of 170.17 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-5-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 16777620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).