3-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid

C16H15N3O5 — CID 167770682

IUPAC3-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid
SMILESCOc1ccc2oc(C)c(C(=O)Nc3cc(C(=O)O)n(C)n3)c2c1
InChIInChI=1S/C16H15N3O5/c1-8-14(10-6-9(23-3)4-5-12(10)24-8)15(20)17-13-7-11(16(21)22)19(2)18-13/h4-7H,1-3H3,(H,21,22)(H,17,18,20)
InChIKeyULCKUKTWZXAHMH-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.43
Rot. Bonds4

About 3-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid

3-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid (PubChem CID 167770682) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is 3-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid
PubChem CID167770682
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name3-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid
SMILESCOc1ccc2oc(C)c(C(=O)Nc3cc(C(=O)O)n(C)n3)c2c1
InChIInChI=1S/C16H15N3O5/c1-8-14(10-6-9(23-3)4-5-12(10)24-8)15(20)17-13-7-11(16(21)22)19(2)18-13/h4-7H,1-3H3,(H,21,22)(H,17,18,20)
InChIKeyULCKUKTWZXAHMH-UHFFFAOYSA-N
XLogP2.43
TPSA106.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-bromophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 51065520
5-methoxy-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-3-carboxamide
CID 55823376
5-methoxy-2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-1-benzofuran-3-carboxamide
CID 46971327
5-methoxy-2-methyl-N-(3-methylphenyl)-1-benzofuran-3-carboxamide
CID 51065526
2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid
CID 82043387
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 94029246
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid
CID 177038641
4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]butanoic acid
CID 13415654
5-methoxy-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 8810753
butyl 4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]benzoate
CID 51065492
N-cyclohexyl-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 1130073

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 3-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid (CID 167770682) is 3-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid is COc1ccc2oc(C)c(C(=O)Nc3cc(C(=O)O)n(C)n3)c2c1.
What is the InChIKey of 3-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid?
The InChIKey is ULCKUKTWZXAHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-8-14(10-6-9(23-3)4-5-12(10)24-8)15(20)17-13-7-11(16(21)22)19(2)18-13/h4-7H,1-3H3,(H,21,22)(H,17,18,20).
What are the key properties of 3-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid?
3-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid has a molecular weight of 329.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 167770682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).