3-(furan-2-yl)-1-phenylpyrazole-5-carboxylic acid

C14H10N2O3 — CID 812101

IUPAC3-(furan-2-yl)-1-phenylpyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C14H10N2O3/c17-14(18)12-9-11(13-7-4-8-19-13)15-16(12)10-5-2-1-3-6-10/h1-9H,(H,17,18)
InChIKeyNQQPNNSSTWGYPK-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.83
Rot. Bonds3

About 3-(furan-2-yl)-1-phenylpyrazole-5-carboxylic acid

3-(furan-2-yl)-1-phenylpyrazole-5-carboxylic acid (PubChem CID 812101) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-phenylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(furan-2-yl)-1-phenylpyrazole-5-carboxylic acid
PubChem CID812101
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name3-(furan-2-yl)-1-phenylpyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C14H10N2O3/c17-14(18)12-9-11(13-7-4-8-19-13)15-16(12)10-5-2-1-3-6-10/h1-9H,(H,17,18)
InChIKeyNQQPNNSSTWGYPK-UHFFFAOYSA-N
XLogP2.83
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-phenylpyrazole-5-carboxylic acid?
The IUPAC name of 3-(furan-2-yl)-1-phenylpyrazole-5-carboxylic acid (CID 812101) is 3-(furan-2-yl)-1-phenylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(furan-2-yl)-1-phenylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-(furan-2-yl)-1-phenylpyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccco2)nn1-c1ccccc1.
What is the InChIKey of 3-(furan-2-yl)-1-phenylpyrazole-5-carboxylic acid?
The InChIKey is NQQPNNSSTWGYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-14(18)12-9-11(13-7-4-8-19-13)15-16(12)10-5-2-1-3-6-10/h1-9H,(H,17,18).
What are the key properties of 3-(furan-2-yl)-1-phenylpyrazole-5-carboxylic acid?
3-(furan-2-yl)-1-phenylpyrazole-5-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-phenylpyrazole-5-carboxylic acid is sourced from PubChem (CID 812101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).