4-chloro-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole

C14H9Cl3F2N2O2 — CID 15672041

IUPAC4-chloro-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
SMILESC#CCOc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H9Cl3F2N2O2/c1-3-4-22-10-5-7(8(15)6-9(10)16)12-11(17)13(21(2)20-12)23-14(18)19/h1,5-6,14H,4H2,2H3
InChIKeyYVJZPBCPMSBBSM-UHFFFAOYSA-N
MW381.59 g/mol
LogP4.66
Rot. Bonds5

About 4-chloro-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole

4-chloro-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole (PubChem CID 15672041) has the molecular formula C14H9Cl3F2N2O2 and a molecular weight of 381.59 g/mol. Its IUPAC name is 4-chloro-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name4-chloro-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
PubChem CID15672041
Molecular FormulaC14H9Cl3F2N2O2
Molecular Weight381.59 g/mol
Exact Mass379.97
IUPAC Name4-chloro-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
SMILESC#CCOc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H9Cl3F2N2O2/c1-3-4-22-10-5-7(8(15)6-9(10)16)12-11(17)13(21(2)20-12)23-14(18)19/h1,5-6,14H,4H2,2H3
InChIKeyYVJZPBCPMSBBSM-UHFFFAOYSA-N
XLogP4.66
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.59
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Pyraflufen-ethyl
CID 182951
Pyraflufen
CID 15672202
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CID 11523546
2-[5-(4-chloro-5-difluoromethoxy-1-methyl-1H-pyrazole-3-yl)-2,4-dichlorophenoxy]propionyl chloride
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4-Chloro-3-(4-chlorophenyl)-5-difluoromethoxy-1-methyl-1H-pyrazole
CID 15220185
4-Chloro-3-(4-chloro-3-methoxymethylphenyl)-5-difluoromethoxy-1-methyl-1H-pyrazole
CID 15220195
4-Bromo-3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole
CID 15278578
3-(4-chloro-2-fluoro-5-methoxyphenyl)-1-(1-methylethyl)-5-(trifluoromethyl)-1H-pyrazole
CID 15278580

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The IUPAC name of 4-chloro-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole (CID 15672041) is 4-chloro-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole.
What is the SMILES notation for 4-chloro-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The canonical SMILES for 4-chloro-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole is C#CCOc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(Cl)cc1Cl.
What is the InChIKey of 4-chloro-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The InChIKey is YVJZPBCPMSBBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3F2N2O2/c1-3-4-22-10-5-7(8(15)6-9(10)16)12-11(17)13(21(2)20-12)23-14(18)19/h1,5-6,14H,4H2,2H3.
What are the key properties of 4-chloro-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
4-chloro-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole has a molecular weight of 381.59 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole is sourced from PubChem (CID 15672041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).