1-[2-chloro-3-fluoro-6-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]pyrazole

C18H16ClFN2O3 — CID 175481138

IUPAC1-[2-chloro-3-fluoro-6-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]pyrazole
SMILESCOc1ccc(COc2cc(OC)c(-n3cccn3)c(Cl)c2F)cc1
InChIInChI=1S/C18H16ClFN2O3/c1-23-13-6-4-12(5-7-13)11-25-14-10-15(24-2)18(16(19)17(14)20)22-9-3-8-21-22/h3-10H,11H2,1-2H3
InChIKeyNGOWWQUKNHLJKY-UHFFFAOYSA-N
MW362.79 g/mol
LogP4.26
Rot. Bonds6

About 1-[2-chloro-3-fluoro-6-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]pyrazole

1-[2-chloro-3-fluoro-6-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]pyrazole (PubChem CID 175481138) has the molecular formula C18H16ClFN2O3 and a molecular weight of 362.79 g/mol. Its IUPAC name is 1-[2-chloro-3-fluoro-6-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]pyrazole.

Molecular Properties

Compound Name1-[2-chloro-3-fluoro-6-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]pyrazole
PubChem CID175481138
Molecular FormulaC18H16ClFN2O3
Molecular Weight362.79 g/mol
Exact Mass362.08
IUPAC Name1-[2-chloro-3-fluoro-6-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]pyrazole
SMILESCOc1ccc(COc2cc(OC)c(-n3cccn3)c(Cl)c2F)cc1
InChIInChI=1S/C18H16ClFN2O3/c1-23-13-6-4-12(5-7-13)11-25-14-10-15(24-2)18(16(19)17(14)20)22-9-3-8-21-22/h3-10H,11H2,1-2H3
InChIKeyNGOWWQUKNHLJKY-UHFFFAOYSA-N
XLogP4.26
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-3-fluoro-6-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]pyrazole?
The IUPAC name of 1-[2-chloro-3-fluoro-6-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]pyrazole (CID 175481138) is 1-[2-chloro-3-fluoro-6-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]pyrazole.
What is the SMILES notation for 1-[2-chloro-3-fluoro-6-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]pyrazole?
The canonical SMILES for 1-[2-chloro-3-fluoro-6-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]pyrazole is COc1ccc(COc2cc(OC)c(-n3cccn3)c(Cl)c2F)cc1.
What is the InChIKey of 1-[2-chloro-3-fluoro-6-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]pyrazole?
The InChIKey is NGOWWQUKNHLJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O3/c1-23-13-6-4-12(5-7-13)11-25-14-10-15(24-2)18(16(19)17(14)20)22-9-3-8-21-22/h3-10H,11H2,1-2H3.
What are the key properties of 1-[2-chloro-3-fluoro-6-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]pyrazole?
1-[2-chloro-3-fluoro-6-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]pyrazole has a molecular weight of 362.79 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-3-fluoro-6-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]pyrazole is sourced from PubChem (CID 175481138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).