2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine

C16H14F2N4OS — CID 130360609

IUPAC2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine
SMILESCSc1cncc(COc2ccc(-c3[nH]ncc3C(F)F)nc2)c1
InChIInChI=1S/C16H14F2N4OS/c1-24-12-4-10(5-19-7-12)9-23-11-2-3-14(20-6-11)15-13(16(17)18)8-21-22-15/h2-8,16H,9H2,1H3,(H,21,22)
InChIKeyDMGLALQNPOWZRT-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.11
Rot. Bonds6

About 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine

2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine (PubChem CID 130360609) has the molecular formula C16H14F2N4OS and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine
PubChem CID130360609
Molecular FormulaC16H14F2N4OS
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC Name2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine
SMILESCSc1cncc(COc2ccc(-c3[nH]ncc3C(F)F)nc2)c1
InChIInChI=1S/C16H14F2N4OS/c1-24-12-4-10(5-19-7-12)9-23-11-2-3-14(20-6-11)15-13(16(17)18)8-21-22-15/h2-8,16H,9H2,1H3,(H,21,22)
InChIKeyDMGLALQNPOWZRT-UHFFFAOYSA-N
XLogP4.11
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine?
The IUPAC name of 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine (CID 130360609) is 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine.
What is the SMILES notation for 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine?
The canonical SMILES for 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine is CSc1cncc(COc2ccc(-c3[nH]ncc3C(F)F)nc2)c1.
What is the InChIKey of 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine?
The InChIKey is DMGLALQNPOWZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4OS/c1-24-12-4-10(5-19-7-12)9-23-11-2-3-14(20-6-11)15-13(16(17)18)8-21-22-15/h2-8,16H,9H2,1H3,(H,21,22).
What are the key properties of 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine?
2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine has a molecular weight of 348.38 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine is sourced from PubChem (CID 130360609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).