5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]thiophene-2-carboxylic acid

C13H16N2O3S — CID 116799971

IUPAC5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]thiophene-2-carboxylic acid
SMILESCCCn1cc(OCc2cc(C(=O)O)sc2C)cn1
InChIInChI=1S/C13H16N2O3S/c1-3-4-15-7-11(6-14-15)18-8-10-5-12(13(16)17)19-9(10)2/h5-7H,3-4,8H2,1-2H3,(H,16,17)
InChIKeySRDLHUVFLJPXNQ-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.94
Rot. Bonds6

About 5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]thiophene-2-carboxylic acid

5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]thiophene-2-carboxylic acid (PubChem CID 116799971) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]thiophene-2-carboxylic acid
PubChem CID116799971
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]thiophene-2-carboxylic acid
SMILESCCCn1cc(OCc2cc(C(=O)O)sc2C)cn1
InChIInChI=1S/C13H16N2O3S/c1-3-4-15-7-11(6-14-15)18-8-10-5-12(13(16)17)19-9(10)2/h5-7H,3-4,8H2,1-2H3,(H,16,17)
InChIKeySRDLHUVFLJPXNQ-UHFFFAOYSA-N
XLogP2.94
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-ethylpyrazol-4-yl)oxymethyl]-5-methylthiophene-2-carboxylic acid
CID 116800042
5-methyl-4-(pyridin-3-yloxymethyl)thiophene-2-carboxylic acid
CID 80730982
4-(1-propylpyrazol-4-yl)oxythiophene-2-carboxylic acid
CID 116801908
2-fluoro-5-[(1-propylpyrazol-4-yl)oxymethyl]benzoic acid
CID 107881276
(E)-4-(1-propylpyrazol-4-yl)oxybut-2-enoic acid
CID 116799960
3-chloro-4-[(1-propylpyrazol-4-yl)oxymethyl]benzamide
CID 102670696
[5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine
CID 116803528
4-propoxy-1-propylpyrazole
CID 116805185
ethyl 1-methyl-5-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate
CID 116800021
4-[(2,5-dibromo-4-methoxyphenoxy)methyl]-5-methylthiophene-2-carboxylic acid
CID 80724776
N-ethyl-N-methyl-2-(1-propylpyrazol-4-yl)oxyacetamide
CID 116804991
3-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]-1,2,5-oxadiazole
CID 116805089

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]thiophene-2-carboxylic acid (CID 116799971) is 5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]thiophene-2-carboxylic acid is CCCn1cc(OCc2cc(C(=O)O)sc2C)cn1.
What is the InChIKey of 5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]thiophene-2-carboxylic acid?
The InChIKey is SRDLHUVFLJPXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-3-4-15-7-11(6-14-15)18-8-10-5-12(13(16)17)19-9(10)2/h5-7H,3-4,8H2,1-2H3,(H,16,17).
What are the key properties of 5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]thiophene-2-carboxylic acid?
5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]thiophene-2-carboxylic acid has a molecular weight of 280.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(1-propylpyrazol-4-yl)oxymethyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 116799971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).