4-(ethoxymethyl)-1-ethylpyrazole-5-carboxylic acid

C9H14N2O3 — CID 117216852

IUPAC4-(ethoxymethyl)-1-ethylpyrazole-5-carboxylic acid
SMILESCCOCc1cnn(CC)c1C(=O)O
InChIInChI=1S/C9H14N2O3/c1-3-11-8(9(12)13)7(5-10-11)6-14-4-2/h5H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyCIVBIYRWFOAHLB-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.14
Rot. Bonds5

About 4-(ethoxymethyl)-1-ethylpyrazole-5-carboxylic acid

4-(ethoxymethyl)-1-ethylpyrazole-5-carboxylic acid (PubChem CID 117216852) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-(ethoxymethyl)-1-ethylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(ethoxymethyl)-1-ethylpyrazole-5-carboxylic acid
PubChem CID117216852
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4-(ethoxymethyl)-1-ethylpyrazole-5-carboxylic acid
SMILESCCOCc1cnn(CC)c1C(=O)O
InChIInChI=1S/C9H14N2O3/c1-3-11-8(9(12)13)7(5-10-11)6-14-4-2/h5H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyCIVBIYRWFOAHLB-UHFFFAOYSA-N
XLogP1.14
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-(phenoxymethyl)pyrazole-5-carboxylic acid
CID 117216813
4-[(cyclopentylamino)methyl]-1-ethylpyrazole-5-carboxylic acid
CID 117216786
1-ethyl-5-(pyrrolidine-1-carbonyl)pyrazole-4-carboxylic acid
CID 117219067
4-(methoxymethyl)-1-propan-2-ylpyrazole-5-carboxylic acid
CID 117216857
1-ethyl-5-(4-fluorophenoxy)carbonylpyrazole-4-carboxylic acid
CID 117219162
5-[(dimethylamino)methyl]-1-ethylpyrazole-4-carboxylic acid
CID 117217880
CID 86730690
CID 86730690
4-chloro-1-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19477226
3-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-2-methylbenzoic acid
CID 19624663
sodium;diethyl 1-ethylpyrazole-4,5-dicarboxylate;ethanolate
CID 159056664
1-methyl-4-(phenoxymethyl)pyrazole-5-carboxylic acid
CID 117216611
1-ethyl-5-(ethylsulfanylmethyl)pyrazole-4-carboxylic acid
CID 117218023

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-1-ethylpyrazole-5-carboxylic acid?
The IUPAC name of 4-(ethoxymethyl)-1-ethylpyrazole-5-carboxylic acid (CID 117216852) is 4-(ethoxymethyl)-1-ethylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-(ethoxymethyl)-1-ethylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-(ethoxymethyl)-1-ethylpyrazole-5-carboxylic acid is CCOCc1cnn(CC)c1C(=O)O.
What is the InChIKey of 4-(ethoxymethyl)-1-ethylpyrazole-5-carboxylic acid?
The InChIKey is CIVBIYRWFOAHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-11-8(9(12)13)7(5-10-11)6-14-4-2/h5H,3-4,6H2,1-2H3,(H,12,13).
What are the key properties of 4-(ethoxymethyl)-1-ethylpyrazole-5-carboxylic acid?
4-(ethoxymethyl)-1-ethylpyrazole-5-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-1-ethylpyrazole-5-carboxylic acid is sourced from PubChem (CID 117216852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).