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

C15H14N2O — CID 168525628

IUPAC1-[2-(furan-2-yl)phenyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2ccccc2-c2ccco2)n1
InChIInChI=1S/C15H14N2O/c1-11-10-12(2)17(16-11)14-7-4-3-6-13(14)15-8-5-9-18-15/h3-10H,1-2H3
InChIKeyHXMWMASGAFQVPW-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.75
Rot. Bonds2

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

1-[2-(furan-2-yl)phenyl]-3,5-dimethylpyrazole (PubChem CID 168525628) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)phenyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[2-(furan-2-yl)phenyl]-3,5-dimethylpyrazole
PubChem CID168525628
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name1-[2-(furan-2-yl)phenyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2ccccc2-c2ccco2)n1
InChIInChI=1S/C15H14N2O/c1-11-10-12(2)17(16-11)14-7-4-3-6-13(14)15-8-5-9-18-15/h3-10H,1-2H3
InChIKeyHXMWMASGAFQVPW-UHFFFAOYSA-N
XLogP3.75
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)phenol
CID 761553
3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole
CID 82078471
1-(2-ethylphenyl)-3,5-dimethylpyrazole
CID 39240354
ethane;2-(2-methylphenyl)furan
CID 142082580
5-(furan-2-yl)-1,3-dimethylpyrazole
CID 59635617
carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol
CID 118510416
[2-(3,5-dimethylpyrazol-1-yl)phenyl]methanol
CID 12746736
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl]propanamide
CID 11472403
1-(4-chlorophenyl)-5-(furan-2-yl)-3-methylpyrazole
CID 126681545
2-(3,5-dimethylpyrazol-1-yl)benzenecarbothioamide
CID 28602187
4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]benzamide
CID 146128414
2-amino-1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol
CID 83823935

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)phenyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[2-(furan-2-yl)phenyl]-3,5-dimethylpyrazole (CID 168525628) is 1-[2-(furan-2-yl)phenyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[2-(furan-2-yl)phenyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[2-(furan-2-yl)phenyl]-3,5-dimethylpyrazole is Cc1cc(C)n(-c2ccccc2-c2ccco2)n1.
What is the InChIKey of 1-[2-(furan-2-yl)phenyl]-3,5-dimethylpyrazole?
The InChIKey is HXMWMASGAFQVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-11-10-12(2)17(16-11)14-7-4-3-6-13(14)15-8-5-9-18-15/h3-10H,1-2H3.
What are the key properties of 1-[2-(furan-2-yl)phenyl]-3,5-dimethylpyrazole?
1-[2-(furan-2-yl)phenyl]-3,5-dimethylpyrazole has a molecular weight of 238.29 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)phenyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 168525628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).