5-(difluoromethylsulfanylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide

C12H13F2N3O2S — CID 61021780

IUPAC5-(difluoromethylsulfanylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1ccc(CSC(F)F)o1
InChIInChI=1S/C12H13F2N3O2S/c1-7-8(5-16-17-7)4-15-11(18)10-3-2-9(19-10)6-20-12(13)14/h2-3,5,12H,4,6H2,1H3,(H,15,18)(H,16,17)
InChIKeyHNFKHNDTWQXVNO-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.70
Rot. Bonds6

About 5-(difluoromethylsulfanylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide

5-(difluoromethylsulfanylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide (PubChem CID 61021780) has the molecular formula C12H13F2N3O2S and a molecular weight of 301.32 g/mol. Its IUPAC name is 5-(difluoromethylsulfanylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(difluoromethylsulfanylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
PubChem CID61021780
Molecular FormulaC12H13F2N3O2S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Name5-(difluoromethylsulfanylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1ccc(CSC(F)F)o1
InChIInChI=1S/C12H13F2N3O2S/c1-7-8(5-16-17-7)4-15-11(18)10-3-2-9(19-10)6-20-12(13)14/h2-3,5,12H,4,6H2,1H3,(H,15,18)(H,16,17)
InChIKeyHNFKHNDTWQXVNO-UHFFFAOYSA-N
XLogP2.70
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.70
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-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-(difluoromethylsulfanylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide (CID 61021780) is 5-(difluoromethylsulfanylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(difluoromethylsulfanylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-(difluoromethylsulfanylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide is Cc1[nH]ncc1CNC(=O)c1ccc(CSC(F)F)o1.
What is the InChIKey of 5-(difluoromethylsulfanylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide?
The InChIKey is HNFKHNDTWQXVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O2S/c1-7-8(5-16-17-7)4-15-11(18)10-3-2-9(19-10)6-20-12(13)14/h2-3,5,12H,4,6H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 5-(difluoromethylsulfanylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide?
5-(difluoromethylsulfanylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide has a molecular weight of 301.32 g/mol, XLogP of 2.70, 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-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 61021780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).