N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine

C11H13F2N3OS — CID 43776639

IUPACN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NCc2ccc(CSC(F)F)o2)cn1
InChIInChI=1S/C11H13F2N3OS/c1-16-6-8(4-15-16)14-5-9-2-3-10(17-9)7-18-11(12)13/h2-4,6,11,14H,5,7H2,1H3
InChIKeyWPSKOZQNEOZRIR-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.08
Rot. Bonds6

About N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine (PubChem CID 43776639) has the molecular formula C11H13F2N3OS and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine
PubChem CID43776639
Molecular FormulaC11H13F2N3OS
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NCc2ccc(CSC(F)F)o2)cn1
InChIInChI=1S/C11H13F2N3OS/c1-16-6-8(4-15-16)14-5-9-2-3-10(17-9)7-18-11(12)13/h2-4,6,11,14H,5,7H2,1H3
InChIKeyWPSKOZQNEOZRIR-UHFFFAOYSA-N
XLogP3.08
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.08
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-methylpyrazol-4-amine?
The IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine (CID 43776639) is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine is Cn1cc(NCc2ccc(CSC(F)F)o2)cn1.
What is the InChIKey of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine?
The InChIKey is WPSKOZQNEOZRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3OS/c1-16-6-8(4-15-16)14-5-9-2-3-10(17-9)7-18-11(12)13/h2-4,6,11,14H,5,7H2,1H3.
What are the key properties of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine?
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine has a molecular weight of 273.31 g/mol, XLogP of 3.08, 6 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-methylpyrazol-4-amine is sourced from PubChem (CID 43776639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).