4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole

C12H12F2N2O — CID 90368719

IUPAC4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole
SMILESCc1c(F)cc(OCc2cnn(C)c2)cc1F
InChIInChI=1S/C12H12F2N2O/c1-8-11(13)3-10(4-12(8)14)17-7-9-5-15-16(2)6-9/h3-6H,7H2,1-2H3
InChIKeyFQRUCQSWMBGANQ-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.59
Rot. Bonds3

About 4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole

4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole (PubChem CID 90368719) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole
PubChem CID90368719
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole
SMILESCc1c(F)cc(OCc2cnn(C)c2)cc1F
InChIInChI=1S/C12H12F2N2O/c1-8-11(13)3-10(4-12(8)14)17-7-9-5-15-16(2)6-9/h3-6H,7H2,1-2H3
InChIKeyFQRUCQSWMBGANQ-UHFFFAOYSA-N
XLogP2.59
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole?
The IUPAC name of 4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole (CID 90368719) is 4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole.
What is the SMILES notation for 4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole?
The canonical SMILES for 4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole is Cc1c(F)cc(OCc2cnn(C)c2)cc1F.
What is the InChIKey of 4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole?
The InChIKey is FQRUCQSWMBGANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-8-11(13)3-10(4-12(8)14)17-7-9-5-15-16(2)6-9/h3-6H,7H2,1-2H3.
What are the key properties of 4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole?
4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole has a molecular weight of 238.24 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluoro-4-methylphenoxy)methyl]-1-methylpyrazole is sourced from PubChem (CID 90368719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).