N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine

C16H22FN3 — CID 79578972

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
SMILESCc1c(CNC(c2ccc(F)cc2)C(C)C)cnn1C
InChIInChI=1S/C16H22FN3/c1-11(2)16(13-5-7-15(17)8-6-13)18-9-14-10-19-20(4)12(14)3/h5-8,10-11,16,18H,9H2,1-4H3
InChIKeyJSXGJUWUYNZBTA-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.35
Rot. Bonds5

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine (PubChem CID 79578972) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
PubChem CID79578972
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
SMILESCc1c(CNC(c2ccc(F)cc2)C(C)C)cnn1C
InChIInChI=1S/C16H22FN3/c1-11(2)16(13-5-7-15(17)8-6-13)18-9-14-10-19-20(4)12(14)3/h5-8,10-11,16,18H,9H2,1-4H3
InChIKeyJSXGJUWUYNZBTA-UHFFFAOYSA-N
XLogP3.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-1-phenylmethanamine
CID 71968624
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 79578576
1-(4-fluorophenyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43225777
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 19619060
1-(2,5-difluorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 79578537
(2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine
CID 93459109
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
1-(1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
CID 86781091
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 115896749
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 79579138
4-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]benzene-1,3-diol
CID 43685473
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 79579433

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine (CID 79578972) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine is Cc1c(CNC(c2ccc(F)cc2)C(C)C)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine?
The InChIKey is JSXGJUWUYNZBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-11(2)16(13-5-7-15(17)8-6-13)18-9-14-10-19-20(4)12(14)3/h5-8,10-11,16,18H,9H2,1-4H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 79578972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).