5-fluoro-1,3-dimethyl-4-[[2-(4-methylpentan-2-yl)phenyl]methyl]pyrazole

C18H25FN2 — CID 123288380

IUPAC5-fluoro-1,3-dimethyl-4-[[2-(4-methylpentan-2-yl)phenyl]methyl]pyrazole
SMILESCc1nn(C)c(F)c1Cc1ccccc1C(C)CC(C)C
InChIInChI=1S/C18H25FN2/c1-12(2)10-13(3)16-9-7-6-8-15(16)11-17-14(4)20-21(5)18(17)19/h6-9,12-13H,10-11H2,1-5H3
InChIKeyIIOQGNBHKHBAQK-UHFFFAOYSA-N
MW288.41 g/mol
LogP4.61
Rot. Bonds5

About 5-fluoro-1,3-dimethyl-4-[[2-(4-methylpentan-2-yl)phenyl]methyl]pyrazole

5-fluoro-1,3-dimethyl-4-[[2-(4-methylpentan-2-yl)phenyl]methyl]pyrazole (PubChem CID 123288380) has the molecular formula C18H25FN2 and a molecular weight of 288.41 g/mol. Its IUPAC name is 5-fluoro-1,3-dimethyl-4-[[2-(4-methylpentan-2-yl)phenyl]methyl]pyrazole.

Molecular Properties

Compound Name5-fluoro-1,3-dimethyl-4-[[2-(4-methylpentan-2-yl)phenyl]methyl]pyrazole
PubChem CID123288380
Molecular FormulaC18H25FN2
Molecular Weight288.41 g/mol
Exact Mass288.20
IUPAC Name5-fluoro-1,3-dimethyl-4-[[2-(4-methylpentan-2-yl)phenyl]methyl]pyrazole
SMILESCc1nn(C)c(F)c1Cc1ccccc1C(C)CC(C)C
InChIInChI=1S/C18H25FN2/c1-12(2)10-13(3)16-9-7-6-8-15(16)11-17-14(4)20-21(5)18(17)19/h6-9,12-13H,10-11H2,1-5H3
InChIKeyIIOQGNBHKHBAQK-UHFFFAOYSA-N
XLogP4.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-dimethyl-4-[[2-(4-methylpentan-2-yl)phenyl]methyl]pyrazole?
The IUPAC name of 5-fluoro-1,3-dimethyl-4-[[2-(4-methylpentan-2-yl)phenyl]methyl]pyrazole (CID 123288380) is 5-fluoro-1,3-dimethyl-4-[[2-(4-methylpentan-2-yl)phenyl]methyl]pyrazole.
What is the SMILES notation for 5-fluoro-1,3-dimethyl-4-[[2-(4-methylpentan-2-yl)phenyl]methyl]pyrazole?
The canonical SMILES for 5-fluoro-1,3-dimethyl-4-[[2-(4-methylpentan-2-yl)phenyl]methyl]pyrazole is Cc1nn(C)c(F)c1Cc1ccccc1C(C)CC(C)C.
What is the InChIKey of 5-fluoro-1,3-dimethyl-4-[[2-(4-methylpentan-2-yl)phenyl]methyl]pyrazole?
The InChIKey is IIOQGNBHKHBAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2/c1-12(2)10-13(3)16-9-7-6-8-15(16)11-17-14(4)20-21(5)18(17)19/h6-9,12-13H,10-11H2,1-5H3.
What are the key properties of 5-fluoro-1,3-dimethyl-4-[[2-(4-methylpentan-2-yl)phenyl]methyl]pyrazole?
5-fluoro-1,3-dimethyl-4-[[2-(4-methylpentan-2-yl)phenyl]methyl]pyrazole has a molecular weight of 288.41 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-dimethyl-4-[[2-(4-methylpentan-2-yl)phenyl]methyl]pyrazole is sourced from PubChem (CID 123288380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).