N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-pyrazol-1-ylpropan-2-amine

C13H17F2N3OS — CID 43791820

IUPACN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCc1ccc(CSC(F)F)o1
InChIInChI=1S/C13H17F2N3OS/c1-10(8-18-6-2-5-17-18)16-7-11-3-4-12(19-11)9-20-13(14)15/h2-6,10,13,16H,7-9H2,1H3
InChIKeyCWVIQRRMZIAENZ-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.11
Rot. Bonds8

About N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-pyrazol-1-ylpropan-2-amine

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 43791820) has the molecular formula C13H17F2N3OS and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID43791820
Molecular FormulaC13H17F2N3OS
Molecular Weight301.36 g/mol
Exact Mass301.11
IUPAC NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCc1ccc(CSC(F)F)o1
InChIInChI=1S/C13H17F2N3OS/c1-10(8-18-6-2-5-17-18)16-7-11-3-4-12(19-11)9-20-13(14)15/h2-6,10,13,16H,7-9H2,1H3
InChIKeyCWVIQRRMZIAENZ-UHFFFAOYSA-N
XLogP3.11
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-pyrazol-1-ylpropan-2-amine (CID 43791820) is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-pyrazol-1-ylpropan-2-amine is CC(Cn1cccn1)NCc1ccc(CSC(F)F)o1.
What is the InChIKey of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is CWVIQRRMZIAENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3OS/c1-10(8-18-6-2-5-17-18)16-7-11-3-4-12(19-11)9-20-13(14)15/h2-6,10,13,16H,7-9H2,1H3.
What are the key properties of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 301.36 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 43791820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).