2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide

C15H12F2N4O2S — CID 8010116

IUPAC2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccco1)c1cccnc1SC(F)F
InChIInChI=1S/C15H12F2N4O2S/c16-15(17)24-14-11(4-1-6-18-14)13(22)20-12-5-7-19-21(12)9-10-3-2-8-23-10/h1-8,15H,9H2,(H,20,22)
InChIKeyXYZFJPAVCUYIOA-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.49
Rot. Bonds6

About 2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide

2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 8010116) has the molecular formula C15H12F2N4O2S and a molecular weight of 350.35 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID8010116
Molecular FormulaC15H12F2N4O2S
Molecular Weight350.35 g/mol
Exact Mass350.06
IUPAC Name2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccco1)c1cccnc1SC(F)F
InChIInChI=1S/C15H12F2N4O2S/c16-15(17)24-14-11(4-1-6-18-14)13(22)20-12-5-7-19-21(12)9-10-3-2-8-23-10/h1-8,15H,9H2,(H,20,22)
InChIKeyXYZFJPAVCUYIOA-UHFFFAOYSA-N
XLogP3.49
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide (CID 8010116) is 2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide is O=C(Nc1ccnn1Cc1ccco1)c1cccnc1SC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is XYZFJPAVCUYIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O2S/c16-15(17)24-14-11(4-1-6-18-14)13(22)20-12-5-7-19-21(12)9-10-3-2-8-23-10/h1-8,15H,9H2,(H,20,22).
What are the key properties of 2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide?
2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 350.35 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 8010116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).