1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol

C14H19F2N3O2S — CID 111457569

IUPAC1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCn1cc(C(C)(O)CNCc2ccc(CSC(F)F)o2)cn1
InChIInChI=1S/C14H19F2N3O2S/c1-14(20,10-5-18-19(2)7-10)9-17-6-11-3-4-12(21-11)8-22-13(15)16/h3-5,7,13,17,20H,6,8-9H2,1-2H3
InChIKeyGSAKKNUICMTKLU-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.47
Rot. Bonds8

About 1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol

1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol (PubChem CID 111457569) has the molecular formula C14H19F2N3O2S and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
PubChem CID111457569
Molecular FormulaC14H19F2N3O2S
Molecular Weight331.39 g/mol
Exact Mass331.12
IUPAC Name1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCn1cc(C(C)(O)CNCc2ccc(CSC(F)F)o2)cn1
InChIInChI=1S/C14H19F2N3O2S/c1-14(20,10-5-18-19(2)7-10)9-17-6-11-3-4-12(21-11)8-22-13(15)16/h3-5,7,13,17,20H,6,8-9H2,1-2H3
InChIKeyGSAKKNUICMTKLU-UHFFFAOYSA-N
XLogP2.47
TPSA63.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol with MolForge

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Related Compounds

N-[(5-ethylfuran-2-yl)methyl]-2-(1-methylpyrazol-4-yl)propan-2-amine
CID 75380815
[1-[[5-(Trifluoromethyl)furan-2-yl]methyl]pyrazol-4-yl]methanamine;hydrochloride
CID 146195052
[1-[[5-(Trifluoromethyl)furan-2-yl]methyl]pyrazol-4-yl]methanamine
CID 146195053
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine
CID 43776639
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-ethylpyrazol-4-amine
CID 43776972
2-[4-[[5-(Difluoromethylsulfanylmethyl)furan-2-yl]methylamino]pyrazol-1-yl]acetamide
CID 43783551
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43787718
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43791820
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 43792476
1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 54893526
1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 54897246
N-methyl-1-[3-methyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methanamine
CID 55073185

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The IUPAC name of 1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol (CID 111457569) is 1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for 1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol is Cn1cc(C(C)(O)CNCc2ccc(CSC(F)F)o2)cn1.
What is the InChIKey of 1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The InChIKey is GSAKKNUICMTKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O2S/c1-14(20,10-5-18-19(2)7-10)9-17-6-11-3-4-12(21-11)8-22-13(15)16/h3-5,7,13,17,20H,6,8-9H2,1-2H3.
What are the key properties of 1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol has a molecular weight of 331.39 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 111457569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).