5-(5-methoxy-1-benzofuran-2-yl)-1H-pyrazole-3-carboxylic acid

C13H10N2O4 — CID 5115060

IUPAC5-(5-methoxy-1-benzofuran-2-yl)-1H-pyrazole-3-carboxylic acid
SMILESCOc1ccc2oc(-c3cc(C(=O)O)n[nH]3)cc2c1
InChIInChI=1S/C13H10N2O4/c1-18-8-2-3-11-7(4-8)5-12(19-11)9-6-10(13(16)17)15-14-9/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyVZXSUAFXVCCQBJ-UHFFFAOYSA-N
MW258.23 g/mol
LogP2.53
Rot. Bonds3

About 5-(5-methoxy-1-benzofuran-2-yl)-1H-pyrazole-3-carboxylic acid

5-(5-methoxy-1-benzofuran-2-yl)-1H-pyrazole-3-carboxylic acid (PubChem CID 5115060) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 5-(5-methoxy-1-benzofuran-2-yl)-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-methoxy-1-benzofuran-2-yl)-1H-pyrazole-3-carboxylic acid
PubChem CID5115060
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name5-(5-methoxy-1-benzofuran-2-yl)-1H-pyrazole-3-carboxylic acid
SMILESCOc1ccc2oc(-c3cc(C(=O)O)n[nH]3)cc2c1
InChIInChI=1S/C13H10N2O4/c1-18-8-2-3-11-7(4-8)5-12(19-11)9-6-10(13(16)17)15-14-9/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyVZXSUAFXVCCQBJ-UHFFFAOYSA-N
XLogP2.53
TPSA88.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-methyl-1-benzofuran-2-yl)-1H-pyrazole-3-carboxylic acid
CID 115109944
5-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1H-pyrazole-3-carboxylic acid
CID 115109859
6-methoxy-2-(5-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 69110989
2-(5-methoxy-1-benzofuran-2-yl)benzo[h]quinoline-3-carboxylic acid
CID 57381256
8-chloro-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 5014562
2-(5-methoxy-1-benzofuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid
CID 4006180
2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-4-carboxylic acid
CID 5133898
3-(5-methoxy-1-benzofuran-2-yl)propanoic acid
CID 28909756
5-(5-methoxy-1-benzofuran-2-yl)-1,2-oxazol-4-amine
CID 115109669
3-(5-methoxy-1-benzofuran-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrobromide
CID 118902978
5-[7-(trifluoromethyl)-1-benzofuran-2-yl]-1H-pyrazole-3-carboxylic acid
CID 115109779
N-[1-(4-methoxyphenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 3622195

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-1-benzofuran-2-yl)-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-(5-methoxy-1-benzofuran-2-yl)-1H-pyrazole-3-carboxylic acid (CID 5115060) is 5-(5-methoxy-1-benzofuran-2-yl)-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-methoxy-1-benzofuran-2-yl)-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(5-methoxy-1-benzofuran-2-yl)-1H-pyrazole-3-carboxylic acid is COc1ccc2oc(-c3cc(C(=O)O)n[nH]3)cc2c1.
What is the InChIKey of 5-(5-methoxy-1-benzofuran-2-yl)-1H-pyrazole-3-carboxylic acid?
The InChIKey is VZXSUAFXVCCQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c1-18-8-2-3-11-7(4-8)5-12(19-11)9-6-10(13(16)17)15-14-9/h2-6H,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-(5-methoxy-1-benzofuran-2-yl)-1H-pyrazole-3-carboxylic acid?
5-(5-methoxy-1-benzofuran-2-yl)-1H-pyrazole-3-carboxylic acid has a molecular weight of 258.23 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-1-benzofuran-2-yl)-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 5115060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).