4-[[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine

C17H25FN4O — CID 94824668

IUPAC4-[[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCOc1ccc(F)cc1[C@@H](C)NCc1c(C)nn(C)c1N(C)C
InChIInChI=1S/C17H25FN4O/c1-11(14-9-13(18)7-8-16(14)23-6)19-10-15-12(2)20-22(5)17(15)21(3)4/h7-9,11,19H,10H2,1-6H3/t11-/m1/s1
InChIKeyWPGUFWOIDUUKRA-LLVKDONJSA-N
MW320.41 g/mol
LogP2.79
Rot. Bonds6

About 4-[[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine

4-[[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine (PubChem CID 94824668) has the molecular formula C17H25FN4O and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-[[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
PubChem CID94824668
Molecular FormulaC17H25FN4O
Molecular Weight320.41 g/mol
Exact Mass320.20
IUPAC Name4-[[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCOc1ccc(F)cc1[C@@H](C)NCc1c(C)nn(C)c1N(C)C
InChIInChI=1S/C17H25FN4O/c1-11(14-9-13(18)7-8-16(14)23-6)19-10-15-12(2)20-22(5)17(15)21(3)4/h7-9,11,19H,10H2,1-6H3/t11-/m1/s1
InChIKeyWPGUFWOIDUUKRA-LLVKDONJSA-N
XLogP2.79
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine with MolForge

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Related Compounds

4-[[[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 94822156
4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51105389
1-(5-fluoro-2-methoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943695
N,N,1,3-tetramethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 43281251
N-[(3,5-difluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 103776734
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 64540777
N,N,1,3-tetramethyl-4-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]pyrazol-5-amine
CID 95139826
N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 43728649
(1R)-1-(2-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 104860855
1-(3-fluoro-4-methoxyphenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 51104803
[1-(5-fluoro-2-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105330929
N'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 107445151

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The IUPAC name of 4-[[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine (CID 94824668) is 4-[[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine.
What is the SMILES notation for 4-[[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The canonical SMILES for 4-[[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine is COc1ccc(F)cc1[C@@H](C)NCc1c(C)nn(C)c1N(C)C.
What is the InChIKey of 4-[[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The InChIKey is WPGUFWOIDUUKRA-LLVKDONJSA-N. The full InChI is InChI=1S/C17H25FN4O/c1-11(14-9-13(18)7-8-16(14)23-6)19-10-15-12(2)20-22(5)17(15)21(3)4/h7-9,11,19H,10H2,1-6H3/t11-/m1/s1.
What are the key properties of 4-[[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
4-[[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine has a molecular weight of 320.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine is sourced from PubChem (CID 94824668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).