N-[[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine

C17H24FN3 — CID 63071149

IUPACN-[[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1nn(-c2ccc(F)cc2CNC(C)(C)C)c(C)c1C
InChIInChI=1S/C17H24FN3/c1-11-12(2)20-21(13(11)3)16-8-7-15(18)9-14(16)10-19-17(4,5)6/h7-9,19H,10H2,1-6H3
InChIKeyKYTQARZOKCJRFW-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.82
Rot. Bonds3

About N-[[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine

N-[[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63071149) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63071149
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN-[[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1nn(-c2ccc(F)cc2CNC(C)(C)C)c(C)c1C
InChIInChI=1S/C17H24FN3/c1-11-12(2)20-21(13(11)3)16-8-7-15(18)9-14(16)10-19-17(4,5)6/h7-9,19H,10H2,1-6H3
InChIKeyKYTQARZOKCJRFW-UHFFFAOYSA-N
XLogP3.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63072475
N-[[3-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63072300
N-[[5-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 55148771
N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 63071540
(1R)-1-[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol
CID 78941320
N-[[2-(4-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63060090
N-[[3-(2,4-difluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446928
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804
N-[[5-fluoro-2-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63059252
N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81255287
N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114854409
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 28586559

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine (CID 63071149) is N-[[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine is Cc1nn(-c2ccc(F)cc2CNC(C)(C)C)c(C)c1C.
What is the InChIKey of N-[[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is KYTQARZOKCJRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-11-12(2)20-21(13(11)3)16-8-7-15(18)9-14(16)10-19-17(4,5)6/h7-9,19H,10H2,1-6H3.
What are the key properties of N-[[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
N-[[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 289.40 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63071149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).