4,6-dichloro-2-[5-(difluoromethoxy)-1-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-5-fluoropyrimidine

C15H7Cl2F5N4O — CID 118150376

IUPAC4,6-dichloro-2-[5-(difluoromethoxy)-1-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-5-fluoropyrimidine
SMILESFc1cccc(Cn2nc(-c3nc(Cl)c(F)c(Cl)n3)cc2OC(F)F)c1F
InChIInChI=1S/C15H7Cl2F5N4O/c16-12-11(20)13(17)24-14(23-12)8-4-9(27-15(21)22)26(25-8)5-6-2-1-3-7(18)10(6)19/h1-4,15H,5H2
InChIKeyJUMXHGASAVVVFZ-UHFFFAOYSA-N
MW425.14 g/mol
LogP4.71
Rot. Bonds5

About 4,6-dichloro-2-[5-(difluoromethoxy)-1-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-5-fluoropyrimidine

4,6-dichloro-2-[5-(difluoromethoxy)-1-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-5-fluoropyrimidine (PubChem CID 118150376) has the molecular formula C15H7Cl2F5N4O and a molecular weight of 425.14 g/mol. Its IUPAC name is 4,6-dichloro-2-[5-(difluoromethoxy)-1-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-5-fluoropyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[5-(difluoromethoxy)-1-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-5-fluoropyrimidine
PubChem CID118150376
Molecular FormulaC15H7Cl2F5N4O
Molecular Weight425.14 g/mol
Exact Mass423.99
IUPAC Name4,6-dichloro-2-[5-(difluoromethoxy)-1-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-5-fluoropyrimidine
SMILESFc1cccc(Cn2nc(-c3nc(Cl)c(F)c(Cl)n3)cc2OC(F)F)c1F
InChIInChI=1S/C15H7Cl2F5N4O/c16-12-11(20)13(17)24-14(23-12)8-4-9(27-15(21)22)26(25-8)5-6-2-1-3-7(18)10(6)19/h1-4,15H,5H2
InChIKeyJUMXHGASAVVVFZ-UHFFFAOYSA-N
XLogP4.71
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.14
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[5-(difluoromethoxy)-1-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-5-fluoropyrimidine?
The IUPAC name of 4,6-dichloro-2-[5-(difluoromethoxy)-1-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-5-fluoropyrimidine (CID 118150376) is 4,6-dichloro-2-[5-(difluoromethoxy)-1-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-5-fluoropyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[5-(difluoromethoxy)-1-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-5-fluoropyrimidine?
The canonical SMILES for 4,6-dichloro-2-[5-(difluoromethoxy)-1-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-5-fluoropyrimidine is Fc1cccc(Cn2nc(-c3nc(Cl)c(F)c(Cl)n3)cc2OC(F)F)c1F.
What is the InChIKey of 4,6-dichloro-2-[5-(difluoromethoxy)-1-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-5-fluoropyrimidine?
The InChIKey is JUMXHGASAVVVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2F5N4O/c16-12-11(20)13(17)24-14(23-12)8-4-9(27-15(21)22)26(25-8)5-6-2-1-3-7(18)10(6)19/h1-4,15H,5H2.
What are the key properties of 4,6-dichloro-2-[5-(difluoromethoxy)-1-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-5-fluoropyrimidine?
4,6-dichloro-2-[5-(difluoromethoxy)-1-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-5-fluoropyrimidine has a molecular weight of 425.14 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[5-(difluoromethoxy)-1-[(2,3-difluorophenyl)methyl]pyrazol-3-yl]-5-fluoropyrimidine is sourced from PubChem (CID 118150376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).