5-[(4-carbamoylpyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid

C14H11N3O4 — CID 65295105

IUPAC5-[(4-carbamoylpyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid
SMILESNC(=O)c1cnn(Cc2ccc3oc(C(=O)O)cc3c2)c1
InChIInChI=1S/C14H11N3O4/c15-13(18)10-5-16-17(7-10)6-8-1-2-11-9(3-8)4-12(21-11)14(19)20/h1-5,7H,6H2,(H2,15,18)(H,19,20)
InChIKeyYNXUPRZRILUHLL-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.47
Rot. Bonds4

About 5-[(4-carbamoylpyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid

5-[(4-carbamoylpyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid (PubChem CID 65295105) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is 5-[(4-carbamoylpyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-carbamoylpyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid
PubChem CID65295105
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Name5-[(4-carbamoylpyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid
SMILESNC(=O)c1cnn(Cc2ccc3oc(C(=O)O)cc3c2)c1
InChIInChI=1S/C14H11N3O4/c15-13(18)10-5-16-17(7-10)6-8-1-2-11-9(3-8)4-12(21-11)14(19)20/h1-5,7H,6H2,(H2,15,18)(H,19,20)
InChIKeyYNXUPRZRILUHLL-UHFFFAOYSA-N
XLogP1.47
TPSA111.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-iodopyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295301
5-[(4-bromopyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65293378
1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 145294520
1-[[2-methyl-4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 174752138
1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 141321250
5-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295449
5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295006
5-(4-carbamoylpyrazol-1-yl)furan-2-carboxylic acid
CID 64782902
5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295104
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrazole-4-carboxamide
CID 102663306
5-[(2,6-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295059
1-[(4-iodophenyl)methyl]pyrazole-4-carboxylic acid
CID 65477016

Frequently Asked Questions

What is the IUPAC name of 5-[(4-carbamoylpyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-[(4-carbamoylpyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid (CID 65295105) is 5-[(4-carbamoylpyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-[(4-carbamoylpyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-[(4-carbamoylpyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid is NC(=O)c1cnn(Cc2ccc3oc(C(=O)O)cc3c2)c1.
What is the InChIKey of 5-[(4-carbamoylpyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid?
The InChIKey is YNXUPRZRILUHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4/c15-13(18)10-5-16-17(7-10)6-8-1-2-11-9(3-8)4-12(21-11)14(19)20/h1-5,7H,6H2,(H2,15,18)(H,19,20).
What are the key properties of 5-[(4-carbamoylpyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid?
5-[(4-carbamoylpyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid has a molecular weight of 285.26 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-carbamoylpyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 65295105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).