2-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)pyrazol-1-yl]acetic acid

C14H13N3O4 — CID 119231000

IUPAC2-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(NC(=O)C2Cc3ccccc3O2)n1
InChIInChI=1S/C14H13N3O4/c18-13(19)8-17-6-5-12(16-17)15-14(20)11-7-9-3-1-2-4-10(9)21-11/h1-6,11H,7-8H2,(H,18,19)(H,15,16,20)
InChIKeyDFKPWVODOVBBIN-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.91
Rot. Bonds4

About 2-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)pyrazol-1-yl]acetic acid

2-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)pyrazol-1-yl]acetic acid (PubChem CID 119231000) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)pyrazol-1-yl]acetic acid
PubChem CID119231000
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name2-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(NC(=O)C2Cc3ccccc3O2)n1
InChIInChI=1S/C14H13N3O4/c18-13(19)8-17-6-5-12(16-17)15-14(20)11-7-9-3-1-2-4-10(9)21-11/h1-6,11H,7-8H2,(H,18,19)(H,15,16,20)
InChIKeyDFKPWVODOVBBIN-UHFFFAOYSA-N
XLogP0.91
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 124569905
2-[3-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)pyrazol-1-yl]acetic acid
CID 119230778
2-[3-(2,3-dihydro-1,4-benzoxathiine-2-carbonylamino)pyrazol-1-yl]acetic acid
CID 119230953
(2S)-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95141743
2-[3-(3,4-dihydro-1H-isochromene-1-carbonylamino)pyrazol-1-yl]acetic acid
CID 119994966
N-(5-chloro-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43044046
N-[5-(aminomethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 62353915
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41105143
N-[3-[(1-phenylpyrazol-3-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55792966
2-[3-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 125152670
N-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 119494479
2-[3-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 129380619

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)pyrazol-1-yl]acetic acid (CID 119231000) is 2-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)pyrazol-1-yl]acetic acid is O=C(O)Cn1ccc(NC(=O)C2Cc3ccccc3O2)n1.
What is the InChIKey of 2-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)pyrazol-1-yl]acetic acid?
The InChIKey is DFKPWVODOVBBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-13(19)8-17-6-5-12(16-17)15-14(20)11-7-9-3-1-2-4-10(9)21-11/h1-6,11H,7-8H2,(H,18,19)(H,15,16,20).
What are the key properties of 2-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)pyrazol-1-yl]acetic acid?
2-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)pyrazol-1-yl]acetic acid has a molecular weight of 287.28 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119231000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).