1-(3-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid

C15H12N2O3S — CID 114798384

IUPAC1-(3-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
SMILESCOc1cccc(-n2cc(C(=O)O)c(-c3cccs3)n2)c1
InChIInChI=1S/C15H12N2O3S/c1-20-11-5-2-4-10(8-11)17-9-12(15(18)19)14(16-17)13-6-3-7-21-13/h2-9H,1H3,(H,18,19)
InChIKeyOAVPTXUVKRJWPG-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.31
Rot. Bonds4

About 1-(3-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid

1-(3-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid (PubChem CID 114798384) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
PubChem CID114798384
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name1-(3-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
SMILESCOc1cccc(-n2cc(C(=O)O)c(-c3cccs3)n2)c1
InChIInChI=1S/C15H12N2O3S/c1-20-11-5-2-4-10(8-11)17-9-12(15(18)19)14(16-17)13-6-3-7-21-13/h2-9H,1H3,(H,18,19)
InChIKeyOAVPTXUVKRJWPG-UHFFFAOYSA-N
XLogP3.31
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 43324242
3-ethyl-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid
CID 82295157
2-(4-methoxyphenyl)ethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 7841176
1-pyrimidin-2-yl-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 43531850
2-methoxyethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 27914141
1-(3-methoxyphenyl)-3-(2-nitrophenyl)pyrazole-4-carboxylic acid
CID 23153898
N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 10092573
3-methoxy-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline
CID 6623412
N-(3-acetamidophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282160
2,4-dimethoxy-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]benzamide
CID 142893891
N-(2-methoxy-5-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 7778291
azetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 7677674

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(3-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid (CID 114798384) is 1-(3-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(3-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid is COc1cccc(-n2cc(C(=O)O)c(-c3cccs3)n2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid?
The InChIKey is OAVPTXUVKRJWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-20-11-5-2-4-10(8-11)17-9-12(15(18)19)14(16-17)13-6-3-7-21-13/h2-9H,1H3,(H,18,19).
What are the key properties of 1-(3-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid?
1-(3-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid has a molecular weight of 300.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 114798384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).