2-[1-(difluoromethyl)-5-methyl-4-phenylsulfanylpyrazol-3-yl]oxypyrimidine

C15H12F2N4OS — CID 137424633

IUPAC2-[1-(difluoromethyl)-5-methyl-4-phenylsulfanylpyrazol-3-yl]oxypyrimidine
SMILESCc1c(Sc2ccccc2)c(Oc2ncccn2)nn1C(F)F
InChIInChI=1S/C15H12F2N4OS/c1-10-12(23-11-6-3-2-4-7-11)13(20-21(10)14(16)17)22-15-18-8-5-9-19-15/h2-9,14H,1H3
InChIKeyRAPPHTSMBCMUMD-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.32
Rot. Bonds5

About 2-[1-(difluoromethyl)-5-methyl-4-phenylsulfanylpyrazol-3-yl]oxypyrimidine

2-[1-(difluoromethyl)-5-methyl-4-phenylsulfanylpyrazol-3-yl]oxypyrimidine (PubChem CID 137424633) has the molecular formula C15H12F2N4OS and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-5-methyl-4-phenylsulfanylpyrazol-3-yl]oxypyrimidine.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-5-methyl-4-phenylsulfanylpyrazol-3-yl]oxypyrimidine
PubChem CID137424633
Molecular FormulaC15H12F2N4OS
Molecular Weight334.35 g/mol
Exact Mass334.07
IUPAC Name2-[1-(difluoromethyl)-5-methyl-4-phenylsulfanylpyrazol-3-yl]oxypyrimidine
SMILESCc1c(Sc2ccccc2)c(Oc2ncccn2)nn1C(F)F
InChIInChI=1S/C15H12F2N4OS/c1-10-12(23-11-6-3-2-4-7-11)13(20-21(10)14(16)17)22-15-18-8-5-9-19-15/h2-9,14H,1H3
InChIKeyRAPPHTSMBCMUMD-UHFFFAOYSA-N
XLogP4.32
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-5-methyl-4-phenylsulfanylpyrazol-3-yl]oxypyrimidine?
The IUPAC name of 2-[1-(difluoromethyl)-5-methyl-4-phenylsulfanylpyrazol-3-yl]oxypyrimidine (CID 137424633) is 2-[1-(difluoromethyl)-5-methyl-4-phenylsulfanylpyrazol-3-yl]oxypyrimidine.
What is the SMILES notation for 2-[1-(difluoromethyl)-5-methyl-4-phenylsulfanylpyrazol-3-yl]oxypyrimidine?
The canonical SMILES for 2-[1-(difluoromethyl)-5-methyl-4-phenylsulfanylpyrazol-3-yl]oxypyrimidine is Cc1c(Sc2ccccc2)c(Oc2ncccn2)nn1C(F)F.
What is the InChIKey of 2-[1-(difluoromethyl)-5-methyl-4-phenylsulfanylpyrazol-3-yl]oxypyrimidine?
The InChIKey is RAPPHTSMBCMUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4OS/c1-10-12(23-11-6-3-2-4-7-11)13(20-21(10)14(16)17)22-15-18-8-5-9-19-15/h2-9,14H,1H3.
What are the key properties of 2-[1-(difluoromethyl)-5-methyl-4-phenylsulfanylpyrazol-3-yl]oxypyrimidine?
2-[1-(difluoromethyl)-5-methyl-4-phenylsulfanylpyrazol-3-yl]oxypyrimidine has a molecular weight of 334.35 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-5-methyl-4-phenylsulfanylpyrazol-3-yl]oxypyrimidine is sourced from PubChem (CID 137424633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).