5-(furan-2-yl)-3-methyl-1-phenylpyrazole

C14H12N2O — CID 708752

IUPAC5-(furan-2-yl)-3-methyl-1-phenylpyrazole
SMILESCc1cc(-c2ccco2)n(-c2ccccc2)n1
InChIInChI=1S/C14H12N2O/c1-11-10-13(14-8-5-9-17-14)16(15-11)12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyNJIDXZDMTBYMNS-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.44
Rot. Bonds2

About 5-(furan-2-yl)-3-methyl-1-phenylpyrazole

5-(furan-2-yl)-3-methyl-1-phenylpyrazole (PubChem CID 708752) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-methyl-1-phenylpyrazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-methyl-1-phenylpyrazole
PubChem CID708752
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name5-(furan-2-yl)-3-methyl-1-phenylpyrazole
SMILESCc1cc(-c2ccco2)n(-c2ccccc2)n1
InChIInChI=1S/C14H12N2O/c1-11-10-13(14-8-5-9-17-14)16(15-11)12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyNJIDXZDMTBYMNS-UHFFFAOYSA-N
XLogP3.44
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-methyl-1-phenylpyrazole?
The IUPAC name of 5-(furan-2-yl)-3-methyl-1-phenylpyrazole (CID 708752) is 5-(furan-2-yl)-3-methyl-1-phenylpyrazole.
What is the SMILES notation for 5-(furan-2-yl)-3-methyl-1-phenylpyrazole?
The canonical SMILES for 5-(furan-2-yl)-3-methyl-1-phenylpyrazole is Cc1cc(-c2ccco2)n(-c2ccccc2)n1.
What is the InChIKey of 5-(furan-2-yl)-3-methyl-1-phenylpyrazole?
The InChIKey is NJIDXZDMTBYMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-11-10-13(14-8-5-9-17-14)16(15-11)12-6-3-2-4-7-12/h2-10H,1H3.
What are the key properties of 5-(furan-2-yl)-3-methyl-1-phenylpyrazole?
5-(furan-2-yl)-3-methyl-1-phenylpyrazole has a molecular weight of 224.26 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-methyl-1-phenylpyrazole is sourced from PubChem (CID 708752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).