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

C12H10N2O3 — CID 82390931

IUPAC3-(1,3-dihydro-2-benzofuran-5-yl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3c(c2)COC3)n[nH]1
InChIInChI=1S/C12H10N2O3/c15-12(16)11-4-10(13-14-11)7-1-2-8-5-17-6-9(8)3-7/h1-4H,5-6H2,(H,13,14)(H,15,16)
InChIKeyOVZDKDCKTKGQQK-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.81
Rot. Bonds2

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

3-(1,3-dihydro-2-benzofuran-5-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 82390931) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-(1,3-dihydro-2-benzofuran-5-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1,3-dihydro-2-benzofuran-5-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID82390931
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name3-(1,3-dihydro-2-benzofuran-5-yl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc3c(c2)COC3)n[nH]1
InChIInChI=1S/C12H10N2O3/c15-12(16)11-4-10(13-14-11)7-1-2-8-5-17-6-9(8)3-7/h1-4H,5-6H2,(H,13,14)(H,15,16)
InChIKeyOVZDKDCKTKGQQK-UHFFFAOYSA-N
XLogP1.81
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydro-2-benzofuran-5-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(1,3-dihydro-2-benzofuran-5-yl)-1H-pyrazole-5-carboxylic acid (CID 82390931) is 3-(1,3-dihydro-2-benzofuran-5-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(1,3-dihydro-2-benzofuran-5-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(1,3-dihydro-2-benzofuran-5-yl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc3c(c2)COC3)n[nH]1.
What is the InChIKey of 3-(1,3-dihydro-2-benzofuran-5-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is OVZDKDCKTKGQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-12(16)11-4-10(13-14-11)7-1-2-8-5-17-6-9(8)3-7/h1-4H,5-6H2,(H,13,14)(H,15,16).
What are the key properties of 3-(1,3-dihydro-2-benzofuran-5-yl)-1H-pyrazole-5-carboxylic acid?
3-(1,3-dihydro-2-benzofuran-5-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydro-2-benzofuran-5-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 82390931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).