5-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-1-phenylpyrazole-3-carboxylic acid

C19H15N3O4 — CID 146126182

IUPAC5-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-1-phenylpyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(C(=O)Nc2ccc3c(c2)CCO3)n(-c2ccccc2)n1
InChIInChI=1S/C19H15N3O4/c23-18(20-13-6-7-17-12(10-13)8-9-26-17)16-11-15(19(24)25)21-22(16)14-4-2-1-3-5-14/h1-7,10-11H,8-9H2,(H,20,23)(H,24,25)
InChIKeyKINXABWDJNPOCE-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.76
Rot. Bonds4

About 5-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-1-phenylpyrazole-3-carboxylic acid

5-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-1-phenylpyrazole-3-carboxylic acid (PubChem CID 146126182) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-1-phenylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-1-phenylpyrazole-3-carboxylic acid
PubChem CID146126182
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name5-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-1-phenylpyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(C(=O)Nc2ccc3c(c2)CCO3)n(-c2ccccc2)n1
InChIInChI=1S/C19H15N3O4/c23-18(20-13-6-7-17-12(10-13)8-9-26-17)16-11-15(19(24)25)21-22(16)14-4-2-1-3-5-14/h1-7,10-11H,8-9H2,(H,20,23)(H,24,25)
InChIKeyKINXABWDJNPOCE-UHFFFAOYSA-N
XLogP2.76
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-1-phenylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-1-phenylpyrazole-3-carboxylic acid (CID 146126182) is 5-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-1-phenylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-1-phenylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-1-phenylpyrazole-3-carboxylic acid is O=C(O)c1cc(C(=O)Nc2ccc3c(c2)CCO3)n(-c2ccccc2)n1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-1-phenylpyrazole-3-carboxylic acid?
The InChIKey is KINXABWDJNPOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-18(20-13-6-7-17-12(10-13)8-9-26-17)16-11-15(19(24)25)21-22(16)14-4-2-1-3-5-14/h1-7,10-11H,8-9H2,(H,20,23)(H,24,25).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-1-phenylpyrazole-3-carboxylic acid?
5-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-1-phenylpyrazole-3-carboxylic acid has a molecular weight of 349.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-1-phenylpyrazole-3-carboxylic acid is sourced from PubChem (CID 146126182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).