1-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole

C18H15ClF2N2O — CID 70971144

IUPAC1-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole
SMILESCc1ccnn1Cc1cc(Cl)ccc1OCc1ccc(F)cc1F
InChIInChI=1S/C18H15ClF2N2O/c1-12-6-7-22-23(12)10-14-8-15(19)3-5-18(14)24-11-13-2-4-16(20)9-17(13)21/h2-9H,10-11H2,1H3
InChIKeyLMGLZEIJIPKPII-UHFFFAOYSA-N
MW348.78 g/mol
LogP4.75
Rot. Bonds5

About 1-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole

1-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole (PubChem CID 70971144) has the molecular formula C18H15ClF2N2O and a molecular weight of 348.78 g/mol. Its IUPAC name is 1-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole.

Molecular Properties

Compound Name1-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole
PubChem CID70971144
Molecular FormulaC18H15ClF2N2O
Molecular Weight348.78 g/mol
Exact Mass348.08
IUPAC Name1-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole
SMILESCc1ccnn1Cc1cc(Cl)ccc1OCc1ccc(F)cc1F
InChIInChI=1S/C18H15ClF2N2O/c1-12-6-7-22-23(12)10-14-8-15(19)3-5-18(14)24-11-13-2-4-16(20)9-17(13)21/h2-9H,10-11H2,1H3
InChIKeyLMGLZEIJIPKPII-UHFFFAOYSA-N
XLogP4.75
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.78
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole?
The IUPAC name of 1-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole (CID 70971144) is 1-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole.
What is the SMILES notation for 1-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole?
The canonical SMILES for 1-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole is Cc1ccnn1Cc1cc(Cl)ccc1OCc1ccc(F)cc1F.
What is the InChIKey of 1-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole?
The InChIKey is LMGLZEIJIPKPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N2O/c1-12-6-7-22-23(12)10-14-8-15(19)3-5-18(14)24-11-13-2-4-16(20)9-17(13)21/h2-9H,10-11H2,1H3.
What are the key properties of 1-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole?
1-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole has a molecular weight of 348.78 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole is sourced from PubChem (CID 70971144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).