4-fluoro-3-(4-fluoro-3-methoxyphenyl)-5-methyl-1H-pyrazole

C11H10F2N2O — CID 70790450

IUPAC4-fluoro-3-(4-fluoro-3-methoxyphenyl)-5-methyl-1H-pyrazole
SMILESCOc1cc(-c2n[nH]c(C)c2F)ccc1F
InChIInChI=1S/C11H10F2N2O/c1-6-10(13)11(15-14-6)7-3-4-8(12)9(5-7)16-2/h3-5H,1-2H3,(H,14,15)
InChIKeyPDWCQCLNDYGTAL-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.67
Rot. Bonds2

About 4-fluoro-3-(4-fluoro-3-methoxyphenyl)-5-methyl-1H-pyrazole

4-fluoro-3-(4-fluoro-3-methoxyphenyl)-5-methyl-1H-pyrazole (PubChem CID 70790450) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 4-fluoro-3-(4-fluoro-3-methoxyphenyl)-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name4-fluoro-3-(4-fluoro-3-methoxyphenyl)-5-methyl-1H-pyrazole
PubChem CID70790450
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name4-fluoro-3-(4-fluoro-3-methoxyphenyl)-5-methyl-1H-pyrazole
SMILESCOc1cc(-c2n[nH]c(C)c2F)ccc1F
InChIInChI=1S/C11H10F2N2O/c1-6-10(13)11(15-14-6)7-3-4-8(12)9(5-7)16-2/h3-5H,1-2H3,(H,14,15)
InChIKeyPDWCQCLNDYGTAL-UHFFFAOYSA-N
XLogP2.67
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(4-fluoro-3-methoxyphenyl)-5-methyl-1H-pyrazole?
The IUPAC name of 4-fluoro-3-(4-fluoro-3-methoxyphenyl)-5-methyl-1H-pyrazole (CID 70790450) is 4-fluoro-3-(4-fluoro-3-methoxyphenyl)-5-methyl-1H-pyrazole.
What is the SMILES notation for 4-fluoro-3-(4-fluoro-3-methoxyphenyl)-5-methyl-1H-pyrazole?
The canonical SMILES for 4-fluoro-3-(4-fluoro-3-methoxyphenyl)-5-methyl-1H-pyrazole is COc1cc(-c2n[nH]c(C)c2F)ccc1F.
What is the InChIKey of 4-fluoro-3-(4-fluoro-3-methoxyphenyl)-5-methyl-1H-pyrazole?
The InChIKey is PDWCQCLNDYGTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-6-10(13)11(15-14-6)7-3-4-8(12)9(5-7)16-2/h3-5H,1-2H3,(H,14,15).
What are the key properties of 4-fluoro-3-(4-fluoro-3-methoxyphenyl)-5-methyl-1H-pyrazole?
4-fluoro-3-(4-fluoro-3-methoxyphenyl)-5-methyl-1H-pyrazole has a molecular weight of 224.21 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(4-fluoro-3-methoxyphenyl)-5-methyl-1H-pyrazole is sourced from PubChem (CID 70790450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).