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

C17H15F3N4O2 — CID 118430558

IUPAC2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-fluoropyrimidine
SMILESCc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ncc(F)cn1
InChIInChI=1S/C17H15F3N4O2/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
InChIKeyRVTXORJISVBSNV-UHFFFAOYSA-N
MW364.33 g/mol
LogP3.97
Rot. Bonds5

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

2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-fluoropyrimidine (PubChem CID 118430558) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-fluoropyrimidine.

Molecular Properties

Compound Name2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-fluoropyrimidine
PubChem CID118430558
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-fluoropyrimidine
SMILESCc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ncc(F)cn1
InChIInChI=1S/C17H15F3N4O2/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
InChIKeyRVTXORJISVBSNV-UHFFFAOYSA-N
XLogP3.97
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-fluoropyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-fluoropyrimidine?
The IUPAC name of 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-fluoropyrimidine (CID 118430558) is 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-fluoropyrimidine.
What is the SMILES notation for 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-fluoropyrimidine?
The canonical SMILES for 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-fluoropyrimidine is Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ncc(F)cn1.
What is the InChIKey of 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-fluoropyrimidine?
The InChIKey is RVTXORJISVBSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2/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 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-fluoropyrimidine?
2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-fluoropyrimidine has a molecular weight of 364.33 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-fluoropyrimidine is sourced from PubChem (CID 118430558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).