4-chloro-5-(4-chloro-2-fluoro-5-methoxyphenyl)-3-(difluoromethoxy)-1H-pyrazole

C11H7Cl2F3N2O2 — CID 101126842

IUPAC4-chloro-5-(4-chloro-2-fluoro-5-methoxyphenyl)-3-(difluoromethoxy)-1H-pyrazole
SMILESCOc1cc(-c2[nH]nc(OC(F)F)c2Cl)c(F)cc1Cl
InChIInChI=1S/C11H7Cl2F3N2O2/c1-19-7-2-4(6(14)3-5(7)12)9-8(13)10(18-17-9)20-11(15)16/h2-3,11H,1H3,(H,17,18)
InChIKeyISTZQVQBVGIQSZ-UHFFFAOYSA-N
MW327.09 g/mol
LogP4.13
Rot. Bonds4

About 4-chloro-5-(4-chloro-2-fluoro-5-methoxyphenyl)-3-(difluoromethoxy)-1H-pyrazole

4-chloro-5-(4-chloro-2-fluoro-5-methoxyphenyl)-3-(difluoromethoxy)-1H-pyrazole (PubChem CID 101126842) has the molecular formula C11H7Cl2F3N2O2 and a molecular weight of 327.09 g/mol. Its IUPAC name is 4-chloro-5-(4-chloro-2-fluoro-5-methoxyphenyl)-3-(difluoromethoxy)-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-5-(4-chloro-2-fluoro-5-methoxyphenyl)-3-(difluoromethoxy)-1H-pyrazole
PubChem CID101126842
Molecular FormulaC11H7Cl2F3N2O2
Molecular Weight327.09 g/mol
Exact Mass325.98
IUPAC Name4-chloro-5-(4-chloro-2-fluoro-5-methoxyphenyl)-3-(difluoromethoxy)-1H-pyrazole
SMILESCOc1cc(-c2[nH]nc(OC(F)F)c2Cl)c(F)cc1Cl
InChIInChI=1S/C11H7Cl2F3N2O2/c1-19-7-2-4(6(14)3-5(7)12)9-8(13)10(18-17-9)20-11(15)16/h2-3,11H,1H3,(H,17,18)
InChIKeyISTZQVQBVGIQSZ-UHFFFAOYSA-N
XLogP4.13
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.09
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chloro-2-fluoro-5-methoxyphenyl)-4-methyl-1H-pyrazole-3-carbonitrile
CID 11043685
[4-acetamido-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)-2-pyridinyl] methyl carbonate
CID 67418556
5-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-3-fluoropyridine
CID 18466521
4-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(difluoromethyl)-2-methylimidazole
CID 19959928
5-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methyl-1H-imidazole
CID 67853105
1-chloro-5-fluoro-4-iodo-2-methoxybenzene
CID 22625607
(5-chloro-2-fluoro-4-methoxyphenyl) thiohypochlorite
CID 172620902
6-chloro-3-iodo-5-methoxy-2H-indazole
CID 163409897
methyl 4-acetamido-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)pyridine-2-carboxylate
CID 68600593
4-amino-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)pyridine-2-carboxylic acid
CID 67420302
1-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
CID 90434376
4-chloro-2-fluoro-5-methoxyphenol
CID 91801475

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-chloro-2-fluoro-5-methoxyphenyl)-3-(difluoromethoxy)-1H-pyrazole?
The IUPAC name of 4-chloro-5-(4-chloro-2-fluoro-5-methoxyphenyl)-3-(difluoromethoxy)-1H-pyrazole (CID 101126842) is 4-chloro-5-(4-chloro-2-fluoro-5-methoxyphenyl)-3-(difluoromethoxy)-1H-pyrazole.
What is the SMILES notation for 4-chloro-5-(4-chloro-2-fluoro-5-methoxyphenyl)-3-(difluoromethoxy)-1H-pyrazole?
The canonical SMILES for 4-chloro-5-(4-chloro-2-fluoro-5-methoxyphenyl)-3-(difluoromethoxy)-1H-pyrazole is COc1cc(-c2[nH]nc(OC(F)F)c2Cl)c(F)cc1Cl.
What is the InChIKey of 4-chloro-5-(4-chloro-2-fluoro-5-methoxyphenyl)-3-(difluoromethoxy)-1H-pyrazole?
The InChIKey is ISTZQVQBVGIQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2F3N2O2/c1-19-7-2-4(6(14)3-5(7)12)9-8(13)10(18-17-9)20-11(15)16/h2-3,11H,1H3,(H,17,18).
What are the key properties of 4-chloro-5-(4-chloro-2-fluoro-5-methoxyphenyl)-3-(difluoromethoxy)-1H-pyrazole?
4-chloro-5-(4-chloro-2-fluoro-5-methoxyphenyl)-3-(difluoromethoxy)-1H-pyrazole has a molecular weight of 327.09 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-chloro-2-fluoro-5-methoxyphenyl)-3-(difluoromethoxy)-1H-pyrazole is sourced from PubChem (CID 101126842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).