5-(1-methoxyethyl)-1H-pyrazole-3-carboxylic acid

C7H10N2O3 — CID 139270399

IUPAC5-(1-methoxyethyl)-1H-pyrazole-3-carboxylic acid
SMILESCOC(C)c1cc(C(=O)O)n[nH]1
InChIInChI=1S/C7H10N2O3/c1-4(12-2)5-3-6(7(10)11)9-8-5/h3-4H,1-2H3,(H,8,9)(H,10,11)
InChIKeyDOSDSXMQBSPDHT-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.82
Rot. Bonds3

About 5-(1-methoxyethyl)-1H-pyrazole-3-carboxylic acid

5-(1-methoxyethyl)-1H-pyrazole-3-carboxylic acid (PubChem CID 139270399) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 5-(1-methoxyethyl)-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-methoxyethyl)-1H-pyrazole-3-carboxylic acid
PubChem CID139270399
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name5-(1-methoxyethyl)-1H-pyrazole-3-carboxylic acid
SMILESCOC(C)c1cc(C(=O)O)n[nH]1
InChIInChI=1S/C7H10N2O3/c1-4(12-2)5-3-6(7(10)11)9-8-5/h3-4H,1-2H3,(H,8,9)(H,10,11)
InChIKeyDOSDSXMQBSPDHT-UHFFFAOYSA-N
XLogP0.82
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxyethyl)-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-(1-methoxyethyl)-1H-pyrazole-3-carboxylic acid (CID 139270399) is 5-(1-methoxyethyl)-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(1-methoxyethyl)-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(1-methoxyethyl)-1H-pyrazole-3-carboxylic acid is COC(C)c1cc(C(=O)O)n[nH]1.
What is the InChIKey of 5-(1-methoxyethyl)-1H-pyrazole-3-carboxylic acid?
The InChIKey is DOSDSXMQBSPDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-4(12-2)5-3-6(7(10)11)9-8-5/h3-4H,1-2H3,(H,8,9)(H,10,11).
What are the key properties of 5-(1-methoxyethyl)-1H-pyrazole-3-carboxylic acid?
5-(1-methoxyethyl)-1H-pyrazole-3-carboxylic acid has a molecular weight of 170.17 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxyethyl)-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 139270399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).