4-hydroxy-1-(2-methoxyethyl)pyrazole-3-carboxylic acid

C7H10N2O4 — CID 165467792

IUPAC4-hydroxy-1-(2-methoxyethyl)pyrazole-3-carboxylic acid
SMILESCOCCn1cc(O)c(C(=O)O)n1
InChIInChI=1S/C7H10N2O4/c1-13-3-2-9-4-5(10)6(8-9)7(11)12/h4,10H,2-3H2,1H3,(H,11,12)
InChIKeyOQMLDDFEWHBCPG-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.07
Rot. Bonds4

About 4-hydroxy-1-(2-methoxyethyl)pyrazole-3-carboxylic acid

4-hydroxy-1-(2-methoxyethyl)pyrazole-3-carboxylic acid (PubChem CID 165467792) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methoxyethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(2-methoxyethyl)pyrazole-3-carboxylic acid
PubChem CID165467792
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name4-hydroxy-1-(2-methoxyethyl)pyrazole-3-carboxylic acid
SMILESCOCCn1cc(O)c(C(=O)O)n1
InChIInChI=1S/C7H10N2O4/c1-13-3-2-9-4-5(10)6(8-9)7(11)12/h4,10H,2-3H2,1H3,(H,11,12)
InChIKeyOQMLDDFEWHBCPG-UHFFFAOYSA-N
XLogP-0.07
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-(2-methoxyethyl)pyrazole-3-carboxylic acid
CID 155291531
1-(3,3-dimethylbutyl)-4-hydroxypyrazole-3-carboxylic acid
CID 165464777
4-amino-1-(2-butoxyethyl)pyrazole-3-carboxylic acid
CID 107344234
3-chloro-1-(2-methoxyethyl)-4-nitrosopyrazole
CID 129275863
1-(methoxymethyl)-4-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 69317917
1-(2-methoxyethyl)pyrazol-4-ol
CID 75466201
4-iodo-1-propylpyrazole-3-carboxylic acid
CID 122170832
4-(2-methoxyethyl)-3-oxopyrazine-2-carboxylic acid
CID 154074662
4-bromo-1-(2-methoxyethyl)-3-methylpyrazole
CID 141450417
4-iodo-1-(2-methoxyethyl)-3-methylpyrazole
CID 146412527
4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 122567754
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methoxyethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(2-methoxyethyl)pyrazole-3-carboxylic acid (CID 165467792) is 4-hydroxy-1-(2-methoxyethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(2-methoxyethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(2-methoxyethyl)pyrazole-3-carboxylic acid is COCCn1cc(O)c(C(=O)O)n1.
What is the InChIKey of 4-hydroxy-1-(2-methoxyethyl)pyrazole-3-carboxylic acid?
The InChIKey is OQMLDDFEWHBCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-13-3-2-9-4-5(10)6(8-9)7(11)12/h4,10H,2-3H2,1H3,(H,11,12).
What are the key properties of 4-hydroxy-1-(2-methoxyethyl)pyrazole-3-carboxylic acid?
4-hydroxy-1-(2-methoxyethyl)pyrazole-3-carboxylic acid has a molecular weight of 186.17 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methoxyethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 165467792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).