4-(2-fluoro-3-methylphenyl)-5-(2-methoxyethyl)-3-phenyl-1H-pyrazole

C19H19FN2O — CID 141269992

IUPAC4-(2-fluoro-3-methylphenyl)-5-(2-methoxyethyl)-3-phenyl-1H-pyrazole
SMILESCOCCc1[nH]nc(-c2ccccc2)c1-c1cccc(C)c1F
InChIInChI=1S/C19H19FN2O/c1-13-7-6-10-15(18(13)20)17-16(11-12-23-2)21-22-19(17)14-8-4-3-5-9-14/h3-10H,11-12H2,1-2H3,(H,21,22)
InChIKeyUFSWNLQOKAGJHI-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.38
Rot. Bonds5

About 4-(2-fluoro-3-methylphenyl)-5-(2-methoxyethyl)-3-phenyl-1H-pyrazole

4-(2-fluoro-3-methylphenyl)-5-(2-methoxyethyl)-3-phenyl-1H-pyrazole (PubChem CID 141269992) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is 4-(2-fluoro-3-methylphenyl)-5-(2-methoxyethyl)-3-phenyl-1H-pyrazole.

Molecular Properties

Compound Name4-(2-fluoro-3-methylphenyl)-5-(2-methoxyethyl)-3-phenyl-1H-pyrazole
PubChem CID141269992
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name4-(2-fluoro-3-methylphenyl)-5-(2-methoxyethyl)-3-phenyl-1H-pyrazole
SMILESCOCCc1[nH]nc(-c2ccccc2)c1-c1cccc(C)c1F
InChIInChI=1S/C19H19FN2O/c1-13-7-6-10-15(18(13)20)17-16(11-12-23-2)21-22-19(17)14-8-4-3-5-9-14/h3-10H,11-12H2,1-2H3,(H,21,22)
InChIKeyUFSWNLQOKAGJHI-UHFFFAOYSA-N
XLogP4.38
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methylphenyl)-5-(2-methoxyethyl)-3-phenyl-1H-pyrazole?
The IUPAC name of 4-(2-fluoro-3-methylphenyl)-5-(2-methoxyethyl)-3-phenyl-1H-pyrazole (CID 141269992) is 4-(2-fluoro-3-methylphenyl)-5-(2-methoxyethyl)-3-phenyl-1H-pyrazole.
What is the SMILES notation for 4-(2-fluoro-3-methylphenyl)-5-(2-methoxyethyl)-3-phenyl-1H-pyrazole?
The canonical SMILES for 4-(2-fluoro-3-methylphenyl)-5-(2-methoxyethyl)-3-phenyl-1H-pyrazole is COCCc1[nH]nc(-c2ccccc2)c1-c1cccc(C)c1F.
What is the InChIKey of 4-(2-fluoro-3-methylphenyl)-5-(2-methoxyethyl)-3-phenyl-1H-pyrazole?
The InChIKey is UFSWNLQOKAGJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-13-7-6-10-15(18(13)20)17-16(11-12-23-2)21-22-19(17)14-8-4-3-5-9-14/h3-10H,11-12H2,1-2H3,(H,21,22).
What are the key properties of 4-(2-fluoro-3-methylphenyl)-5-(2-methoxyethyl)-3-phenyl-1H-pyrazole?
4-(2-fluoro-3-methylphenyl)-5-(2-methoxyethyl)-3-phenyl-1H-pyrazole has a molecular weight of 310.37 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-methylphenyl)-5-(2-methoxyethyl)-3-phenyl-1H-pyrazole is sourced from PubChem (CID 141269992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).