4-chloro-3-(8-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-1-methyl-5-(trifluoromethyl)pyrazole

C14H10Cl2F4N2O — CID 11523546

IUPAC4-chloro-3-(8-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCn1nc(-c2c(F)cc(Cl)c3c2CCCO3)c(Cl)c1C(F)(F)F
InChIInChI=1S/C14H10Cl2F4N2O/c1-22-13(14(18,19)20)10(16)11(21-22)9-6-3-2-4-23-12(6)7(15)5-8(9)17/h5H,2-4H2,1H3
InChIKeyAZGUKWLZYIUJQK-UHFFFAOYSA-N
MW369.15 g/mol
LogP4.88
Rot. Bonds1

About 4-chloro-3-(8-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-1-methyl-5-(trifluoromethyl)pyrazole

4-chloro-3-(8-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-1-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 11523546) has the molecular formula C14H10Cl2F4N2O and a molecular weight of 369.15 g/mol. Its IUPAC name is 4-chloro-3-(8-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-1-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-chloro-3-(8-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-1-methyl-5-(trifluoromethyl)pyrazole
PubChem CID11523546
Molecular FormulaC14H10Cl2F4N2O
Molecular Weight369.15 g/mol
Exact Mass368.01
IUPAC Name4-chloro-3-(8-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCn1nc(-c2c(F)cc(Cl)c3c2CCCO3)c(Cl)c1C(F)(F)F
InChIInChI=1S/C14H10Cl2F4N2O/c1-22-13(14(18,19)20)10(16)11(21-22)9-6-3-2-4-23-12(6)7(15)5-8(9)17/h5H,2-4H2,1H3
InChIKeyAZGUKWLZYIUJQK-UHFFFAOYSA-N
XLogP4.88
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.15
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-Chloro-3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole
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1-Methyl-3-(2-fluoro-4-chloro-5-methoxyphenyl)-5-trifluoromethyl-1H-pyrazole
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(8-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-1-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 4-chloro-3-(8-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-1-methyl-5-(trifluoromethyl)pyrazole (CID 11523546) is 4-chloro-3-(8-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-1-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-chloro-3-(8-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-1-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-chloro-3-(8-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-1-methyl-5-(trifluoromethyl)pyrazole is Cn1nc(-c2c(F)cc(Cl)c3c2CCCO3)c(Cl)c1C(F)(F)F.
What is the InChIKey of 4-chloro-3-(8-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-1-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is AZGUKWLZYIUJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F4N2O/c1-22-13(14(18,19)20)10(16)11(21-22)9-6-3-2-4-23-12(6)7(15)5-8(9)17/h5H,2-4H2,1H3.
What are the key properties of 4-chloro-3-(8-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-1-methyl-5-(trifluoromethyl)pyrazole?
4-chloro-3-(8-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-1-methyl-5-(trifluoromethyl)pyrazole has a molecular weight of 369.15 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(8-chloro-6-fluoro-3,4-dihydro-2H-chromen-5-yl)-1-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 11523546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).