2-[4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]pyrazol-1-yl]acetamide

C12H14F2N4O2S — CID 43783551

IUPAC2-[4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(NCc2ccc(CSC(F)F)o2)cn1
InChIInChI=1S/C12H14F2N4O2S/c13-12(14)21-7-10-2-1-9(20-10)4-16-8-3-17-18(5-8)6-11(15)19/h1-3,5,12,16H,4,6-7H2,(H2,15,19)
InChIKeyVBHCGEATCPOQFX-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.03
Rot. Bonds8

About 2-[4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]pyrazol-1-yl]acetamide

2-[4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]pyrazol-1-yl]acetamide (PubChem CID 43783551) has the molecular formula C12H14F2N4O2S and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-[4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]pyrazol-1-yl]acetamide
PubChem CID43783551
Molecular FormulaC12H14F2N4O2S
Molecular Weight316.33 g/mol
Exact Mass316.08
IUPAC Name2-[4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(NCc2ccc(CSC(F)F)o2)cn1
InChIInChI=1S/C12H14F2N4O2S/c13-12(14)21-7-10-2-1-9(20-10)4-16-8-3-17-18(5-8)6-11(15)19/h1-3,5,12,16H,4,6-7H2,(H2,15,19)
InChIKeyVBHCGEATCPOQFX-UHFFFAOYSA-N
XLogP2.03
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]pyrazol-1-yl]acetamide (CID 43783551) is 2-[4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]pyrazol-1-yl]acetamide is NC(=O)Cn1cc(NCc2ccc(CSC(F)F)o2)cn1.
What is the InChIKey of 2-[4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]pyrazol-1-yl]acetamide?
The InChIKey is VBHCGEATCPOQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O2S/c13-12(14)21-7-10-2-1-9(20-10)4-16-8-3-17-18(5-8)6-11(15)19/h1-3,5,12,16H,4,6-7H2,(H2,15,19).
What are the key properties of 2-[4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]pyrazol-1-yl]acetamide?
2-[4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]pyrazol-1-yl]acetamide has a molecular weight of 316.33 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 43783551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).