1-(4-chlorophenyl)-5-(furan-2-yl)-3-methylpyrazole

C14H11ClN2O — CID 126681545

IUPAC1-(4-chlorophenyl)-5-(furan-2-yl)-3-methylpyrazole
SMILESCc1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H11ClN2O/c1-10-9-13(14-3-2-8-18-14)17(16-10)12-6-4-11(15)5-7-12/h2-9H,1H3
InChIKeyDOHLPFXKIJODSW-UHFFFAOYSA-N
MW258.71 g/mol
LogP4.09
Rot. Bonds2

About 1-(4-chlorophenyl)-5-(furan-2-yl)-3-methylpyrazole

1-(4-chlorophenyl)-5-(furan-2-yl)-3-methylpyrazole (PubChem CID 126681545) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(furan-2-yl)-3-methylpyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(furan-2-yl)-3-methylpyrazole
PubChem CID126681545
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name1-(4-chlorophenyl)-5-(furan-2-yl)-3-methylpyrazole
SMILESCc1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H11ClN2O/c1-10-9-13(14-3-2-8-18-14)17(16-10)12-6-4-11(15)5-7-12/h2-9H,1H3
InChIKeyDOHLPFXKIJODSW-UHFFFAOYSA-N
XLogP4.09
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(furan-2-yl)-3-methylpyrazole?
The IUPAC name of 1-(4-chlorophenyl)-5-(furan-2-yl)-3-methylpyrazole (CID 126681545) is 1-(4-chlorophenyl)-5-(furan-2-yl)-3-methylpyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(furan-2-yl)-3-methylpyrazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-(furan-2-yl)-3-methylpyrazole is Cc1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(furan-2-yl)-3-methylpyrazole?
The InChIKey is DOHLPFXKIJODSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-10-9-13(14-3-2-8-18-14)17(16-10)12-6-4-11(15)5-7-12/h2-9H,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-(furan-2-yl)-3-methylpyrazole?
1-(4-chlorophenyl)-5-(furan-2-yl)-3-methylpyrazole has a molecular weight of 258.71 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(furan-2-yl)-3-methylpyrazole is sourced from PubChem (CID 126681545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).