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

C17H16F2N4O2 — CID 118430649

IUPAC2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine
SMILESCc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ncccn1
InChIInChI=1S/C17H16F2N4O2/c1-10(2)24-16-14(25-15-12(18)6-4-7-13(15)19)11(3)23(22-16)17-20-8-5-9-21-17/h4-10H,1-3H3
InChIKeyQXKOHUDKALOLDU-UHFFFAOYSA-N
MW346.34 g/mol
LogP3.83
Rot. Bonds5

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

2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine (PubChem CID 118430649) has the molecular formula C17H16F2N4O2 and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine
PubChem CID118430649
Molecular FormulaC17H16F2N4O2
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Name2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine
SMILESCc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ncccn1
InChIInChI=1S/C17H16F2N4O2/c1-10(2)24-16-14(25-15-12(18)6-4-7-13(15)19)11(3)23(22-16)17-20-8-5-9-21-17/h4-10H,1-3H3
InChIKeyQXKOHUDKALOLDU-UHFFFAOYSA-N
XLogP3.83
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine?
The IUPAC name of 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine (CID 118430649) is 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine is Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ncccn1.
What is the InChIKey of 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine?
The InChIKey is QXKOHUDKALOLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2/c1-10(2)24-16-14(25-15-12(18)6-4-7-13(15)19)11(3)23(22-16)17-20-8-5-9-21-17/h4-10H,1-3H3.
What are the key properties of 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine?
2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine has a molecular weight of 346.34 g/mol, XLogP of 3.83, 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]pyrimidine is sourced from PubChem (CID 118430649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).