3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole

C12H10Cl2F2N2O — CID 11023193

IUPAC3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole
SMILESCn1nc(Cc2cccc(Cl)c2Cl)cc1OC(F)F
InChIInChI=1S/C12H10Cl2F2N2O/c1-18-10(19-12(15)16)6-8(17-18)5-7-3-2-4-9(13)11(7)14/h2-4,6,12H,5H2,1H3
InChIKeyHMKKKFHHARVQTM-UHFFFAOYSA-N
MW307.13 g/mol
LogP3.92
Rot. Bonds4

About 3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole

3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole (PubChem CID 11023193) has the molecular formula C12H10Cl2F2N2O and a molecular weight of 307.13 g/mol. Its IUPAC name is 3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole
PubChem CID11023193
Molecular FormulaC12H10Cl2F2N2O
Molecular Weight307.13 g/mol
Exact Mass306.01
IUPAC Name3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole
SMILESCn1nc(Cc2cccc(Cl)c2Cl)cc1OC(F)F
InChIInChI=1S/C12H10Cl2F2N2O/c1-18-10(19-12(15)16)6-8(17-18)5-7-3-2-4-9(13)11(7)14/h2-4,6,12H,5H2,1H3
InChIKeyHMKKKFHHARVQTM-UHFFFAOYSA-N
XLogP3.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.13
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole?
The IUPAC name of 3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole (CID 11023193) is 3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole.
What is the SMILES notation for 3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole?
The canonical SMILES for 3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole is Cn1nc(Cc2cccc(Cl)c2Cl)cc1OC(F)F.
What is the InChIKey of 3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole?
The InChIKey is HMKKKFHHARVQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2F2N2O/c1-18-10(19-12(15)16)6-8(17-18)5-7-3-2-4-9(13)11(7)14/h2-4,6,12H,5H2,1H3.
What are the key properties of 3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole?
3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole has a molecular weight of 307.13 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole is sourced from PubChem (CID 11023193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).