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

C19H20F2N4O2 — CID 118430570

IUPAC2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-ethylpyrimidine
SMILESCCc1cnc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)nc1
InChIInChI=1S/C19H20F2N4O2/c1-5-13-9-22-19(23-10-13)25-12(4)16(18(24-25)26-11(2)3)27-17-14(20)7-6-8-15(17)21/h6-11H,5H2,1-4H3
InChIKeySONXINISKZIKPN-UHFFFAOYSA-N
MW374.39 g/mol
LogP4.39
Rot. Bonds6

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

2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-ethylpyrimidine (PubChem CID 118430570) has the molecular formula C19H20F2N4O2 and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-ethylpyrimidine.

Molecular Properties

Compound Name2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-ethylpyrimidine
PubChem CID118430570
Molecular FormulaC19H20F2N4O2
Molecular Weight374.39 g/mol
Exact Mass374.16
IUPAC Name2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-ethylpyrimidine
SMILESCCc1cnc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)nc1
InChIInChI=1S/C19H20F2N4O2/c1-5-13-9-22-19(23-10-13)25-12(4)16(18(24-25)26-11(2)3)27-17-14(20)7-6-8-15(17)21/h6-11H,5H2,1-4H3
InChIKeySONXINISKZIKPN-UHFFFAOYSA-N
XLogP4.39
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.39
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]-5-ethylpyrimidine?
The IUPAC name of 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-ethylpyrimidine (CID 118430570) is 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-ethylpyrimidine.
What is the SMILES notation for 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-ethylpyrimidine?
The canonical SMILES for 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-ethylpyrimidine is CCc1cnc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)nc1.
What is the InChIKey of 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-ethylpyrimidine?
The InChIKey is SONXINISKZIKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O2/c1-5-13-9-22-19(23-10-13)25-12(4)16(18(24-25)26-11(2)3)27-17-14(20)7-6-8-15(17)21/h6-11H,5H2,1-4H3.
What are the key properties of 2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-ethylpyrimidine?
2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-ethylpyrimidine has a molecular weight of 374.39 g/mol, XLogP of 4.39, 6 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-ethylpyrimidine is sourced from PubChem (CID 118430570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).