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

C16H21F2N3O — CID 66665037

IUPAC[5-[(2,5-difluorophenyl)methoxy]-1-(3-methylbutyl)pyrazol-3-yl]methanamine
SMILESCC(C)CCn1nc(CN)cc1OCc1cc(F)ccc1F
InChIInChI=1S/C16H21F2N3O/c1-11(2)5-6-21-16(8-14(9-19)20-21)22-10-12-7-13(17)3-4-15(12)18/h3-4,7-8,11H,5-6,9-10,19H2,1-2H3
InChIKeyIPPHQFGYJIMCGH-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.25
Rot. Bonds7

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

[5-[(2,5-difluorophenyl)methoxy]-1-(3-methylbutyl)pyrazol-3-yl]methanamine (PubChem CID 66665037) has the molecular formula C16H21F2N3O and a molecular weight of 309.36 g/mol. Its IUPAC name is [5-[(2,5-difluorophenyl)methoxy]-1-(3-methylbutyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(2,5-difluorophenyl)methoxy]-1-(3-methylbutyl)pyrazol-3-yl]methanamine
PubChem CID66665037
Molecular FormulaC16H21F2N3O
Molecular Weight309.36 g/mol
Exact Mass309.17
IUPAC Name[5-[(2,5-difluorophenyl)methoxy]-1-(3-methylbutyl)pyrazol-3-yl]methanamine
SMILESCC(C)CCn1nc(CN)cc1OCc1cc(F)ccc1F
InChIInChI=1S/C16H21F2N3O/c1-11(2)5-6-21-16(8-14(9-19)20-21)22-10-12-7-13(17)3-4-15(12)18/h3-4,7-8,11H,5-6,9-10,19H2,1-2H3
InChIKeyIPPHQFGYJIMCGH-UHFFFAOYSA-N
XLogP3.25
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methanamine;hydrochloride
CID 66664847
dideuterio-[5-[dideuterio-(2,5-difluorophenyl)methoxy]-1-(2-methylpropyl)pyrazol-3-yl]methanamine
CID 175853426
5-[(2,5-difluorophenyl)methoxy]-1-(3-fluoro-3-methylbutyl)-3-propylpyrazole;hydrochloride
CID 158887581
1-[2-[5-[(2,5-difluorophenyl)methoxy]-3-(methylaminomethyl)pyrazol-1-yl]ethyl]cyclopentan-1-ol;hydrochloride
CID 66665590
[methylamino-[1-(3-methylbutyl)-5-[(2,4,5-trifluorophenyl)methoxy]pyrazol-3-yl]methyl] dihydrogen phosphate
CID 155144232
1-[5-[(5-chloro-2-fluorophenyl)methoxy]-1-(3,3-dimethylbutyl)pyrazol-3-yl]-N-methylmethanamine
CID 56601151
1,4-difluoro-2-(propan-2-yloxymethyl)benzene
CID 58479340
4-[5-[(5-chloro-2-fluorophenyl)methoxy]-3-(methylaminomethyl)pyrazol-1-yl]-2,2-dimethylbutan-1-ol;hydrochloride
CID 158901653
(1S)-1-[2-[(2,5-difluorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947419
2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107700281
[4-fluoro-2-(3-methylbutoxymethyl)phenyl]methanamine
CID 64764838
1-[5-[(5-chloro-2-fluorophenyl)methoxy]-1-(3-methoxy-3-methylbutyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride
CID 66665464

Frequently Asked Questions

What is the IUPAC name of [5-[(2,5-difluorophenyl)methoxy]-1-(3-methylbutyl)pyrazol-3-yl]methanamine?
The IUPAC name of [5-[(2,5-difluorophenyl)methoxy]-1-(3-methylbutyl)pyrazol-3-yl]methanamine (CID 66665037) is [5-[(2,5-difluorophenyl)methoxy]-1-(3-methylbutyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [5-[(2,5-difluorophenyl)methoxy]-1-(3-methylbutyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [5-[(2,5-difluorophenyl)methoxy]-1-(3-methylbutyl)pyrazol-3-yl]methanamine is CC(C)CCn1nc(CN)cc1OCc1cc(F)ccc1F.
What is the InChIKey of [5-[(2,5-difluorophenyl)methoxy]-1-(3-methylbutyl)pyrazol-3-yl]methanamine?
The InChIKey is IPPHQFGYJIMCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O/c1-11(2)5-6-21-16(8-14(9-19)20-21)22-10-12-7-13(17)3-4-15(12)18/h3-4,7-8,11H,5-6,9-10,19H2,1-2H3.
What are the key properties of [5-[(2,5-difluorophenyl)methoxy]-1-(3-methylbutyl)pyrazol-3-yl]methanamine?
[5-[(2,5-difluorophenyl)methoxy]-1-(3-methylbutyl)pyrazol-3-yl]methanamine has a molecular weight of 309.36 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,5-difluorophenyl)methoxy]-1-(3-methylbutyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 66665037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).