5-(difluoromethylsulfanylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide

C13H15F2N3O2S — CID 115592978

IUPAC5-(difluoromethylsulfanylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide
SMILESCC(C)c1cc(NC(=O)c2ccc(CSC(F)F)o2)n[nH]1
InChIInChI=1S/C13H15F2N3O2S/c1-7(2)9-5-11(18-17-9)16-12(19)10-4-3-8(20-10)6-21-13(14)15/h3-5,7,13H,6H2,1-2H3,(H2,16,17,18,19)
InChIKeyHHXBDJAUGURGPU-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.83
Rot. Bonds6

About 5-(difluoromethylsulfanylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide

5-(difluoromethylsulfanylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide (PubChem CID 115592978) has the molecular formula C13H15F2N3O2S and a molecular weight of 315.35 g/mol. Its IUPAC name is 5-(difluoromethylsulfanylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(difluoromethylsulfanylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide
PubChem CID115592978
Molecular FormulaC13H15F2N3O2S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name5-(difluoromethylsulfanylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide
SMILESCC(C)c1cc(NC(=O)c2ccc(CSC(F)F)o2)n[nH]1
InChIInChI=1S/C13H15F2N3O2S/c1-7(2)9-5-11(18-17-9)16-12(19)10-4-3-8(20-10)6-21-13(14)15/h3-5,7,13H,6H2,1-2H3,(H2,16,17,18,19)
InChIKeyHHXBDJAUGURGPU-UHFFFAOYSA-N
XLogP3.83
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethylsulfanylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide?
The IUPAC name of 5-(difluoromethylsulfanylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide (CID 115592978) is 5-(difluoromethylsulfanylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(difluoromethylsulfanylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-(difluoromethylsulfanylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide is CC(C)c1cc(NC(=O)c2ccc(CSC(F)F)o2)n[nH]1.
What is the InChIKey of 5-(difluoromethylsulfanylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide?
The InChIKey is HHXBDJAUGURGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2S/c1-7(2)9-5-11(18-17-9)16-12(19)10-4-3-8(20-10)6-21-13(14)15/h3-5,7,13H,6H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-(difluoromethylsulfanylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide?
5-(difluoromethylsulfanylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylsulfanylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 115592978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).