5-fluoro-1,4-dimethyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazole

C15H19FN2O — CID 118002007

IUPAC5-fluoro-1,4-dimethyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazole
SMILESCc1cc(-c2nn(C)c(F)c2C)ccc1OC(C)C
InChIInChI=1S/C15H19FN2O/c1-9(2)19-13-7-6-12(8-10(13)3)14-11(4)15(16)18(5)17-14/h6-9H,1-5H3
InChIKeySKRPEOOXYHCMDB-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.63
Rot. Bonds3

About 5-fluoro-1,4-dimethyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazole

5-fluoro-1,4-dimethyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazole (PubChem CID 118002007) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-fluoro-1,4-dimethyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazole.

Molecular Properties

Compound Name5-fluoro-1,4-dimethyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazole
PubChem CID118002007
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name5-fluoro-1,4-dimethyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazole
SMILESCc1cc(-c2nn(C)c(F)c2C)ccc1OC(C)C
InChIInChI=1S/C15H19FN2O/c1-9(2)19-13-7-6-12(8-10(13)3)14-11(4)15(16)18(5)17-14/h6-9H,1-5H3
InChIKeySKRPEOOXYHCMDB-UHFFFAOYSA-N
XLogP3.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,4-dimethyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazole?
The IUPAC name of 5-fluoro-1,4-dimethyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazole (CID 118002007) is 5-fluoro-1,4-dimethyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazole.
What is the SMILES notation for 5-fluoro-1,4-dimethyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazole?
The canonical SMILES for 5-fluoro-1,4-dimethyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazole is Cc1cc(-c2nn(C)c(F)c2C)ccc1OC(C)C.
What is the InChIKey of 5-fluoro-1,4-dimethyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazole?
The InChIKey is SKRPEOOXYHCMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-9(2)19-13-7-6-12(8-10(13)3)14-11(4)15(16)18(5)17-14/h6-9H,1-5H3.
What are the key properties of 5-fluoro-1,4-dimethyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazole?
5-fluoro-1,4-dimethyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazole has a molecular weight of 262.33 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,4-dimethyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazole is sourced from PubChem (CID 118002007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).