N-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine

C16H22FN3 — CID 63072475

IUPACN-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(C)n(-c2ccc(F)cc2CNC(C)(C)C)n1
InChIInChI=1S/C16H22FN3/c1-11-8-12(2)20(19-11)15-7-6-14(17)9-13(15)10-18-16(3,4)5/h6-9,18H,10H2,1-5H3
InChIKeyWHRXBYJTBHQZBD-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.52
Rot. Bonds3

About N-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine

N-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63072475) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
PubChem CID63072475
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(C)n(-c2ccc(F)cc2CNC(C)(C)C)n1
InChIInChI=1S/C16H22FN3/c1-11-8-12(2)20(19-11)15-7-6-14(17)9-13(15)10-18-16(3,4)5/h6-9,18H,10H2,1-5H3
InChIKeyWHRXBYJTBHQZBD-UHFFFAOYSA-N
XLogP3.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63071149
N-[[5-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 55148771
N-[[2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62292753
N-[[2-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62293989
N-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63070188
(3aS,5S,6R,7aR)-2-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 77086900
1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanamine
CID 74234497
(1S,5R)-3-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 56907099
(1S)-1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethanol
CID 55184508
N-[[2-(4-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63060090
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804
(3S,4R)-4-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl-ethylamino]oxolan-3-ol
CID 133131035

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine (CID 63072475) is N-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine is Cc1cc(C)n(-c2ccc(F)cc2CNC(C)(C)C)n1.
What is the InChIKey of N-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is WHRXBYJTBHQZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-11-8-12(2)20(19-11)15-7-6-14(17)9-13(15)10-18-16(3,4)5/h6-9,18H,10H2,1-5H3.
What are the key properties of N-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine?
N-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 275.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63072475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).