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

C17H24FN3 — CID 63072300

IUPACN-[[3-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1nn(-c2ccc(CNC(C)(C)C)cc2F)c(C)c1C
InChIInChI=1S/C17H24FN3/c1-11-12(2)20-21(13(11)3)16-8-7-14(9-15(16)18)10-19-17(4,5)6/h7-9,19H,10H2,1-6H3
InChIKeyCVZXTWAAVKPWCN-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.82
Rot. Bonds3

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

N-[[3-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63072300) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[[3-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63072300
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN-[[3-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1nn(-c2ccc(CNC(C)(C)C)cc2F)c(C)c1C
InChIInChI=1S/C17H24FN3/c1-11-12(2)20-21(13(11)3)16-8-7-14(9-15(16)18)10-19-17(4,5)6/h7-9,19H,10H2,1-6H3
InChIKeyCVZXTWAAVKPWCN-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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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine (CID 63072300) is N-[[3-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine is Cc1nn(-c2ccc(CNC(C)(C)C)cc2F)c(C)c1C.
What is the InChIKey of N-[[3-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is CVZXTWAAVKPWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-11-12(2)20-21(13(11)3)16-8-7-14(9-15(16)18)10-19-17(4,5)6/h7-9,19H,10H2,1-6H3.
What are the key properties of N-[[3-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-fluoro-4-(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-[[3-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63072300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).