4-fluoro-3,5-dimethyl-1-(2-phenylmethoxyphenyl)pyrazole

C18H17FN2O — CID 86703260

IUPAC4-fluoro-3,5-dimethyl-1-(2-phenylmethoxyphenyl)pyrazole
SMILESCc1nn(-c2ccccc2OCc2ccccc2)c(C)c1F
InChIInChI=1S/C18H17FN2O/c1-13-18(19)14(2)21(20-13)16-10-6-7-11-17(16)22-12-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3
InChIKeyYUKLVHZAMSJKAN-UHFFFAOYSA-N
MW296.34 g/mol
LogP4.21
Rot. Bonds4

About 4-fluoro-3,5-dimethyl-1-(2-phenylmethoxyphenyl)pyrazole

4-fluoro-3,5-dimethyl-1-(2-phenylmethoxyphenyl)pyrazole (PubChem CID 86703260) has the molecular formula C18H17FN2O and a molecular weight of 296.34 g/mol. Its IUPAC name is 4-fluoro-3,5-dimethyl-1-(2-phenylmethoxyphenyl)pyrazole.

Molecular Properties

Compound Name4-fluoro-3,5-dimethyl-1-(2-phenylmethoxyphenyl)pyrazole
PubChem CID86703260
Molecular FormulaC18H17FN2O
Molecular Weight296.34 g/mol
Exact Mass296.13
IUPAC Name4-fluoro-3,5-dimethyl-1-(2-phenylmethoxyphenyl)pyrazole
SMILESCc1nn(-c2ccccc2OCc2ccccc2)c(C)c1F
InChIInChI=1S/C18H17FN2O/c1-13-18(19)14(2)21(20-13)16-10-6-7-11-17(16)22-12-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3
InChIKeyYUKLVHZAMSJKAN-UHFFFAOYSA-N
XLogP4.21
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3,5-dimethyl-1-(2-phenylmethoxyphenyl)pyrazole?
The IUPAC name of 4-fluoro-3,5-dimethyl-1-(2-phenylmethoxyphenyl)pyrazole (CID 86703260) is 4-fluoro-3,5-dimethyl-1-(2-phenylmethoxyphenyl)pyrazole.
What is the SMILES notation for 4-fluoro-3,5-dimethyl-1-(2-phenylmethoxyphenyl)pyrazole?
The canonical SMILES for 4-fluoro-3,5-dimethyl-1-(2-phenylmethoxyphenyl)pyrazole is Cc1nn(-c2ccccc2OCc2ccccc2)c(C)c1F.
What is the InChIKey of 4-fluoro-3,5-dimethyl-1-(2-phenylmethoxyphenyl)pyrazole?
The InChIKey is YUKLVHZAMSJKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-13-18(19)14(2)21(20-13)16-10-6-7-11-17(16)22-12-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3.
What are the key properties of 4-fluoro-3,5-dimethyl-1-(2-phenylmethoxyphenyl)pyrazole?
4-fluoro-3,5-dimethyl-1-(2-phenylmethoxyphenyl)pyrazole has a molecular weight of 296.34 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,5-dimethyl-1-(2-phenylmethoxyphenyl)pyrazole is sourced from PubChem (CID 86703260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).