4-chloro-5-[(2,3-dichlorophenyl)methyl]-3-(difluoromethoxymethyl)-1H-pyrazole

C12H9Cl3F2N2O — CID 70149219

IUPAC4-chloro-5-[(2,3-dichlorophenyl)methyl]-3-(difluoromethoxymethyl)-1H-pyrazole
SMILESFC(F)OCc1n[nH]c(Cc2cccc(Cl)c2Cl)c1Cl
InChIInChI=1S/C12H9Cl3F2N2O/c13-7-3-1-2-6(10(7)14)4-8-11(15)9(19-18-8)5-20-12(16)17/h1-3,12H,4-5H2,(H,18,19)
InChIKeyUGHKQGQSLAJYSM-UHFFFAOYSA-N
MW341.57 g/mol
LogP4.70
Rot. Bonds5

About 4-chloro-5-[(2,3-dichlorophenyl)methyl]-3-(difluoromethoxymethyl)-1H-pyrazole

4-chloro-5-[(2,3-dichlorophenyl)methyl]-3-(difluoromethoxymethyl)-1H-pyrazole (PubChem CID 70149219) has the molecular formula C12H9Cl3F2N2O and a molecular weight of 341.57 g/mol. Its IUPAC name is 4-chloro-5-[(2,3-dichlorophenyl)methyl]-3-(difluoromethoxymethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-5-[(2,3-dichlorophenyl)methyl]-3-(difluoromethoxymethyl)-1H-pyrazole
PubChem CID70149219
Molecular FormulaC12H9Cl3F2N2O
Molecular Weight341.57 g/mol
Exact Mass339.97
IUPAC Name4-chloro-5-[(2,3-dichlorophenyl)methyl]-3-(difluoromethoxymethyl)-1H-pyrazole
SMILESFC(F)OCc1n[nH]c(Cc2cccc(Cl)c2Cl)c1Cl
InChIInChI=1S/C12H9Cl3F2N2O/c13-7-3-1-2-6(10(7)14)4-8-11(15)9(19-18-8)5-20-12(16)17/h1-3,12H,4-5H2,(H,18,19)
InChIKeyUGHKQGQSLAJYSM-UHFFFAOYSA-N
XLogP4.70
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.57
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(2,3-dichlorophenyl)methyl]-3-(difluoromethoxymethyl)-1H-pyrazole?
The IUPAC name of 4-chloro-5-[(2,3-dichlorophenyl)methyl]-3-(difluoromethoxymethyl)-1H-pyrazole (CID 70149219) is 4-chloro-5-[(2,3-dichlorophenyl)methyl]-3-(difluoromethoxymethyl)-1H-pyrazole.
What is the SMILES notation for 4-chloro-5-[(2,3-dichlorophenyl)methyl]-3-(difluoromethoxymethyl)-1H-pyrazole?
The canonical SMILES for 4-chloro-5-[(2,3-dichlorophenyl)methyl]-3-(difluoromethoxymethyl)-1H-pyrazole is FC(F)OCc1n[nH]c(Cc2cccc(Cl)c2Cl)c1Cl.
What is the InChIKey of 4-chloro-5-[(2,3-dichlorophenyl)methyl]-3-(difluoromethoxymethyl)-1H-pyrazole?
The InChIKey is UGHKQGQSLAJYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3F2N2O/c13-7-3-1-2-6(10(7)14)4-8-11(15)9(19-18-8)5-20-12(16)17/h1-3,12H,4-5H2,(H,18,19).
What are the key properties of 4-chloro-5-[(2,3-dichlorophenyl)methyl]-3-(difluoromethoxymethyl)-1H-pyrazole?
4-chloro-5-[(2,3-dichlorophenyl)methyl]-3-(difluoromethoxymethyl)-1H-pyrazole has a molecular weight of 341.57 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(2,3-dichlorophenyl)methyl]-3-(difluoromethoxymethyl)-1H-pyrazole is sourced from PubChem (CID 70149219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).