5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine

C17H15BrF2N4O2 — CID 91971312

IUPAC5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine
SMILESCc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ncc(Br)cn1
InChIInChI=1S/C17H15BrF2N4O2/c1-9(2)25-16-14(26-15-12(19)5-4-6-13(15)20)10(3)24(23-16)17-21-7-11(18)8-22-17/h4-9H,1-3H3
InChIKeyKLVWJVSZULXDFD-UHFFFAOYSA-N
MW425.23 g/mol
LogP4.59
Rot. Bonds5

About 5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine

5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine (PubChem CID 91971312) has the molecular formula C17H15BrF2N4O2 and a molecular weight of 425.23 g/mol. Its IUPAC name is 5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine
PubChem CID91971312
Molecular FormulaC17H15BrF2N4O2
Molecular Weight425.23 g/mol
Exact Mass424.03
IUPAC Name5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine
SMILESCc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ncc(Br)cn1
InChIInChI=1S/C17H15BrF2N4O2/c1-9(2)25-16-14(26-15-12(19)5-4-6-13(15)20)10(3)24(23-16)17-21-7-11(18)8-22-17/h4-9H,1-3H3
InChIKeyKLVWJVSZULXDFD-UHFFFAOYSA-N
XLogP4.59
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.23
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine?
The IUPAC name of 5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine (CID 91971312) is 5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine.
What is the SMILES notation for 5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine?
The canonical SMILES for 5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine is Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ncc(Br)cn1.
What is the InChIKey of 5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine?
The InChIKey is KLVWJVSZULXDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF2N4O2/c1-9(2)25-16-14(26-15-12(19)5-4-6-13(15)20)10(3)24(23-16)17-21-7-11(18)8-22-17/h4-9H,1-3H3.
What are the key properties of 5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine?
5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine has a molecular weight of 425.23 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine is sourced from PubChem (CID 91971312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).