4-chloro-1-[4-(furan-2-yl)phenyl]-3,5-dimethylpyrazole

C15H13ClN2O — CID 168527719

IUPAC4-chloro-1-[4-(furan-2-yl)phenyl]-3,5-dimethylpyrazole
SMILESCc1nn(-c2ccc(-c3ccco3)cc2)c(C)c1Cl
InChIInChI=1S/C15H13ClN2O/c1-10-15(16)11(2)18(17-10)13-7-5-12(6-8-13)14-4-3-9-19-14/h3-9H,1-2H3
InChIKeyHKXYELZBVALICB-UHFFFAOYSA-N
MW272.74 g/mol
LogP4.40
Rot. Bonds2

About 4-chloro-1-[4-(furan-2-yl)phenyl]-3,5-dimethylpyrazole

4-chloro-1-[4-(furan-2-yl)phenyl]-3,5-dimethylpyrazole (PubChem CID 168527719) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 4-chloro-1-[4-(furan-2-yl)phenyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-chloro-1-[4-(furan-2-yl)phenyl]-3,5-dimethylpyrazole
PubChem CID168527719
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name4-chloro-1-[4-(furan-2-yl)phenyl]-3,5-dimethylpyrazole
SMILESCc1nn(-c2ccc(-c3ccco3)cc2)c(C)c1Cl
InChIInChI=1S/C15H13ClN2O/c1-10-15(16)11(2)18(17-10)13-7-5-12(6-8-13)14-4-3-9-19-14/h3-9H,1-2H3
InChIKeyHKXYELZBVALICB-UHFFFAOYSA-N
XLogP4.40
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[4-(furan-2-yl)phenyl]-3,5-dimethylpyrazole?
The IUPAC name of 4-chloro-1-[4-(furan-2-yl)phenyl]-3,5-dimethylpyrazole (CID 168527719) is 4-chloro-1-[4-(furan-2-yl)phenyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 4-chloro-1-[4-(furan-2-yl)phenyl]-3,5-dimethylpyrazole?
The canonical SMILES for 4-chloro-1-[4-(furan-2-yl)phenyl]-3,5-dimethylpyrazole is Cc1nn(-c2ccc(-c3ccco3)cc2)c(C)c1Cl.
What is the InChIKey of 4-chloro-1-[4-(furan-2-yl)phenyl]-3,5-dimethylpyrazole?
The InChIKey is HKXYELZBVALICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-10-15(16)11(2)18(17-10)13-7-5-12(6-8-13)14-4-3-9-19-14/h3-9H,1-2H3.
What are the key properties of 4-chloro-1-[4-(furan-2-yl)phenyl]-3,5-dimethylpyrazole?
4-chloro-1-[4-(furan-2-yl)phenyl]-3,5-dimethylpyrazole has a molecular weight of 272.74 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[4-(furan-2-yl)phenyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 168527719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).