4-[(1-ethylpyrazol-4-yl)oxymethyl]-5-methylthiophene-2-carboxylic acid

C12H14N2O3S — CID 116800042

IUPAC4-[(1-ethylpyrazol-4-yl)oxymethyl]-5-methylthiophene-2-carboxylic acid
SMILESCCn1cc(OCc2cc(C(=O)O)sc2C)cn1
InChIInChI=1S/C12H14N2O3S/c1-3-14-6-10(5-13-14)17-7-9-4-11(12(15)16)18-8(9)2/h4-6H,3,7H2,1-2H3,(H,15,16)
InChIKeyQRYGKIQPWZWWSP-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.55
Rot. Bonds5

About 4-[(1-ethylpyrazol-4-yl)oxymethyl]-5-methylthiophene-2-carboxylic acid

4-[(1-ethylpyrazol-4-yl)oxymethyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 116800042) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-[(1-ethylpyrazol-4-yl)oxymethyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-ethylpyrazol-4-yl)oxymethyl]-5-methylthiophene-2-carboxylic acid
PubChem CID116800042
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name4-[(1-ethylpyrazol-4-yl)oxymethyl]-5-methylthiophene-2-carboxylic acid
SMILESCCn1cc(OCc2cc(C(=O)O)sc2C)cn1
InChIInChI=1S/C12H14N2O3S/c1-3-14-6-10(5-13-14)17-7-9-4-11(12(15)16)18-8(9)2/h4-6H,3,7H2,1-2H3,(H,15,16)
InChIKeyQRYGKIQPWZWWSP-UHFFFAOYSA-N
XLogP2.55
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]thiophene-2-carboxylic acid
CID 116799971
5-methyl-4-(pyridin-3-yloxymethyl)thiophene-2-carboxylic acid
CID 80730982
3-bromo-4-[(1-ethylpyrazol-4-yl)oxymethyl]benzoic acid
CID 102765633
4-(ethoxymethyl)-5-methylthiophene-2-carboxylic acid
CID 80730360
methyl 2-[(1-ethylpyrazol-4-yl)oxymethyl]benzoate
CID 116800061
3-[(1-ethylpyrazol-4-yl)oxymethyl]benzoic acid
CID 116800034
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
ethyl (E)-4-(1-ethylpyrazol-4-yl)oxybut-2-enoate
CID 116800100
methyl 2-(1-ethylpyrazol-4-yl)oxyacetate
CID 116800028
4-[(2-bromophenyl)methoxy]-1-ethylpyrazole
CID 116804675
4-[(2,5-dibromo-4-methoxyphenoxy)methyl]-5-methylthiophene-2-carboxylic acid
CID 80724776
5-methyl-4-(pentan-2-yloxymethyl)thiophene-2-carboxylic acid
CID 102980062

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrazol-4-yl)oxymethyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[(1-ethylpyrazol-4-yl)oxymethyl]-5-methylthiophene-2-carboxylic acid (CID 116800042) is 4-[(1-ethylpyrazol-4-yl)oxymethyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(1-ethylpyrazol-4-yl)oxymethyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[(1-ethylpyrazol-4-yl)oxymethyl]-5-methylthiophene-2-carboxylic acid is CCn1cc(OCc2cc(C(=O)O)sc2C)cn1.
What is the InChIKey of 4-[(1-ethylpyrazol-4-yl)oxymethyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is QRYGKIQPWZWWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-3-14-6-10(5-13-14)17-7-9-4-11(12(15)16)18-8(9)2/h4-6H,3,7H2,1-2H3,(H,15,16).
What are the key properties of 4-[(1-ethylpyrazol-4-yl)oxymethyl]-5-methylthiophene-2-carboxylic acid?
4-[(1-ethylpyrazol-4-yl)oxymethyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 266.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrazol-4-yl)oxymethyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 116800042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).