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

C18H16BrF2N3O2 — CID 118430619

IUPAC5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine
SMILESCc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ccc(Br)cn1
InChIInChI=1S/C18H16BrF2N3O2/c1-10(2)25-18-16(26-17-13(20)5-4-6-14(17)21)11(3)24(23-18)15-8-7-12(19)9-22-15/h4-10H,1-3H3
InChIKeyKGZMHYRNPOQAQU-UHFFFAOYSA-N
MW424.25 g/mol
LogP5.20
Rot. Bonds5

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

5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine (PubChem CID 118430619) has the molecular formula C18H16BrF2N3O2 and a molecular weight of 424.25 g/mol. Its IUPAC name is 5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine
PubChem CID118430619
Molecular FormulaC18H16BrF2N3O2
Molecular Weight424.25 g/mol
Exact Mass423.04
IUPAC Name5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine
SMILESCc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ccc(Br)cn1
InChIInChI=1S/C18H16BrF2N3O2/c1-10(2)25-18-16(26-17-13(20)5-4-6-14(17)21)11(3)24(23-18)15-8-7-12(19)9-22-15/h4-10H,1-3H3
InChIKeyKGZMHYRNPOQAQU-UHFFFAOYSA-N
XLogP5.20
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.25
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Dhodh-IN-1
CID 118430456
2-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-ethylpyrimidine
CID 118430570
hDHODH-IN-3
CID 118430627
3-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-6-methylpyridazine
CID 118430657
2-(4-(2,6-difluorophenoxy)-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl)pyrimidine
CID 118430649
2-{[3,5-dimethyl-1-(2-pyridinyl)-1H-pyrazol-4-yl]oxy}phenol
CID 2999618
Ipp/cnrs-A019
CID 118430525
5-Bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine
CID 91971312
5-Cyclopropyl-2-[3-ethoxy-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine
CID 118430405
2-Cyclopropyl-5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine
CID 118430411
2-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-fluoro-5-propylpyridine
CID 118430417
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-bromopyridine
CID 118430418

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine?
The IUPAC name of 5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine (CID 118430619) is 5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine.
What is the SMILES notation for 5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine?
The canonical SMILES for 5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine is Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine?
The InChIKey is KGZMHYRNPOQAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrF2N3O2/c1-10(2)25-18-16(26-17-13(20)5-4-6-14(17)21)11(3)24(23-18)15-8-7-12(19)9-22-15/h4-10H,1-3H3.
What are the key properties of 5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine?
5-bromo-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine has a molecular weight of 424.25 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 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]pyridine is sourced from PubChem (CID 118430619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).