4-(2-fluoro-4-methoxy-6-methylphenyl)-1,3,5-trimethylpyrazole

C14H17FN2O — CID 137458571

IUPAC4-(2-fluoro-4-methoxy-6-methylphenyl)-1,3,5-trimethylpyrazole
SMILESCOc1cc(C)c(-c2c(C)nn(C)c2C)c(F)c1
InChIInChI=1S/C14H17FN2O/c1-8-6-11(18-5)7-12(15)13(8)14-9(2)16-17(4)10(14)3/h6-7H,1-5H3
InChIKeyWPWOISPWDCMVJP-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.16
Rot. Bonds2

About 4-(2-fluoro-4-methoxy-6-methylphenyl)-1,3,5-trimethylpyrazole

4-(2-fluoro-4-methoxy-6-methylphenyl)-1,3,5-trimethylpyrazole (PubChem CID 137458571) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 4-(2-fluoro-4-methoxy-6-methylphenyl)-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name4-(2-fluoro-4-methoxy-6-methylphenyl)-1,3,5-trimethylpyrazole
PubChem CID137458571
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name4-(2-fluoro-4-methoxy-6-methylphenyl)-1,3,5-trimethylpyrazole
SMILESCOc1cc(C)c(-c2c(C)nn(C)c2C)c(F)c1
InChIInChI=1S/C14H17FN2O/c1-8-6-11(18-5)7-12(15)13(8)14-9(2)16-17(4)10(14)3/h6-7H,1-5H3
InChIKeyWPWOISPWDCMVJP-UHFFFAOYSA-N
XLogP3.16
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methoxy-6-methylphenyl)-1,3,5-trimethylpyrazole?
The IUPAC name of 4-(2-fluoro-4-methoxy-6-methylphenyl)-1,3,5-trimethylpyrazole (CID 137458571) is 4-(2-fluoro-4-methoxy-6-methylphenyl)-1,3,5-trimethylpyrazole.
What is the SMILES notation for 4-(2-fluoro-4-methoxy-6-methylphenyl)-1,3,5-trimethylpyrazole?
The canonical SMILES for 4-(2-fluoro-4-methoxy-6-methylphenyl)-1,3,5-trimethylpyrazole is COc1cc(C)c(-c2c(C)nn(C)c2C)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methoxy-6-methylphenyl)-1,3,5-trimethylpyrazole?
The InChIKey is WPWOISPWDCMVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-8-6-11(18-5)7-12(15)13(8)14-9(2)16-17(4)10(14)3/h6-7H,1-5H3.
What are the key properties of 4-(2-fluoro-4-methoxy-6-methylphenyl)-1,3,5-trimethylpyrazole?
4-(2-fluoro-4-methoxy-6-methylphenyl)-1,3,5-trimethylpyrazole has a molecular weight of 248.30 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methoxy-6-methylphenyl)-1,3,5-trimethylpyrazole is sourced from PubChem (CID 137458571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).