dideuterio-[5-[dideuterio-(2,5-difluorophenyl)methoxy]-1-(2-methylpropyl)pyrazol-3-yl]methanamine

C15H19F2N3O — CID 175853426

IUPACdideuterio-[5-[dideuterio-(2,5-difluorophenyl)methoxy]-1-(2-methylpropyl)pyrazol-3-yl]methanamine
SMILES[2H]C([2H])(N)c1cc(OC([2H])([2H])c2cc(F)ccc2F)n(CC(C)C)n1
InChIInChI=1S/C15H19F2N3O/c1-10(2)8-20-15(6-13(7-18)19-20)21-9-11-5-12(16)3-4-14(11)17/h3-6,10H,7-9,18H2,1-2H3/i7D2,9D2
InChIKeyVUTYIUXUVXZALC-BSFGQKQYSA-N
MW299.36 g/mol
LogP2.86
Rot. Bonds6

About dideuterio-[5-[dideuterio-(2,5-difluorophenyl)methoxy]-1-(2-methylpropyl)pyrazol-3-yl]methanamine

dideuterio-[5-[dideuterio-(2,5-difluorophenyl)methoxy]-1-(2-methylpropyl)pyrazol-3-yl]methanamine (PubChem CID 175853426) has the molecular formula C15H19F2N3O and a molecular weight of 299.36 g/mol. Its IUPAC name is dideuterio-[5-[dideuterio-(2,5-difluorophenyl)methoxy]-1-(2-methylpropyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Namedideuterio-[5-[dideuterio-(2,5-difluorophenyl)methoxy]-1-(2-methylpropyl)pyrazol-3-yl]methanamine
PubChem CID175853426
Molecular FormulaC15H19F2N3O
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC Namedideuterio-[5-[dideuterio-(2,5-difluorophenyl)methoxy]-1-(2-methylpropyl)pyrazol-3-yl]methanamine
SMILES[2H]C([2H])(N)c1cc(OC([2H])([2H])c2cc(F)ccc2F)n(CC(C)C)n1
InChIInChI=1S/C15H19F2N3O/c1-10(2)8-20-15(6-13(7-18)19-20)21-9-11-5-12(16)3-4-14(11)17/h3-6,10H,7-9,18H2,1-2H3/i7D2,9D2
InChIKeyVUTYIUXUVXZALC-BSFGQKQYSA-N
XLogP2.86
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(2,5-difluorophenyl)methoxy]-1-(3-methylbutyl)pyrazol-3-yl]methanamine
CID 66665037
[1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methanamine;hydrochloride
CID 66664847
(2S)-3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 94460708
3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 62505348
5-[(2,5-difluorophenyl)methoxy]-1-(3-fluoro-3-methylbutyl)-3-propylpyrazole;hydrochloride
CID 158887581
4-bromo-1-[(2,5-difluorophenyl)methyl]-3,5-dimethylpyrazole
CID 62128749
1-[1-[(2,5-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 62731555
(1S)-1-[2-[(2,5-difluorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947419
1,4-difluoro-2-(propan-2-yloxymethyl)benzene
CID 58479340
[5-fluoro-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]methanamine
CID 63289261
2-[5-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 107700400
3-chloro-5-fluoro-1-(2-methylpropyl)indazole
CID 105484197

Frequently Asked Questions

What is the IUPAC name of dideuterio-[5-[dideuterio-(2,5-difluorophenyl)methoxy]-1-(2-methylpropyl)pyrazol-3-yl]methanamine?
The IUPAC name of dideuterio-[5-[dideuterio-(2,5-difluorophenyl)methoxy]-1-(2-methylpropyl)pyrazol-3-yl]methanamine (CID 175853426) is dideuterio-[5-[dideuterio-(2,5-difluorophenyl)methoxy]-1-(2-methylpropyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for dideuterio-[5-[dideuterio-(2,5-difluorophenyl)methoxy]-1-(2-methylpropyl)pyrazol-3-yl]methanamine?
The canonical SMILES for dideuterio-[5-[dideuterio-(2,5-difluorophenyl)methoxy]-1-(2-methylpropyl)pyrazol-3-yl]methanamine is [2H]C([2H])(N)c1cc(OC([2H])([2H])c2cc(F)ccc2F)n(CC(C)C)n1.
What is the InChIKey of dideuterio-[5-[dideuterio-(2,5-difluorophenyl)methoxy]-1-(2-methylpropyl)pyrazol-3-yl]methanamine?
The InChIKey is VUTYIUXUVXZALC-BSFGQKQYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-10(2)8-20-15(6-13(7-18)19-20)21-9-11-5-12(16)3-4-14(11)17/h3-6,10H,7-9,18H2,1-2H3/i7D2,9D2.
What are the key properties of dideuterio-[5-[dideuterio-(2,5-difluorophenyl)methoxy]-1-(2-methylpropyl)pyrazol-3-yl]methanamine?
dideuterio-[5-[dideuterio-(2,5-difluorophenyl)methoxy]-1-(2-methylpropyl)pyrazol-3-yl]methanamine has a molecular weight of 299.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dideuterio-[5-[dideuterio-(2,5-difluorophenyl)methoxy]-1-(2-methylpropyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 175853426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).