N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine

C19H26FN3O — CID 46998990

IUPACN-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
SMILESCC(C)n1cc(CN(Cc2ccc(F)cc2)CC2CCCO2)cn1
InChIInChI=1S/C19H26FN3O/c1-15(2)23-13-17(10-21-23)12-22(14-19-4-3-9-24-19)11-16-5-7-18(20)8-6-16/h5-8,10,13,15,19H,3-4,9,11-12,14H2,1-2H3
InChIKeySPPUJGYDMBFAGR-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.78
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine

N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine (PubChem CID 46998990) has the molecular formula C19H26FN3O and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
PubChem CID46998990
Molecular FormulaC19H26FN3O
Molecular Weight331.44 g/mol
Exact Mass331.21
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
SMILESCC(C)n1cc(CN(Cc2ccc(F)cc2)CC2CCCO2)cn1
InChIInChI=1S/C19H26FN3O/c1-15(2)23-13-17(10-21-23)12-22(14-19-4-3-9-24-19)11-16-5-7-18(20)8-6-16/h5-8,10,13,15,19H,3-4,9,11-12,14H2,1-2H3
InChIKeySPPUJGYDMBFAGR-UHFFFAOYSA-N
XLogP3.78
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]methanamine
CID 46954471
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51497058
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 46962826
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 47537579
N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 43818512
2-[[(4-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methylpyridin-3-ol
CID 46984901
5-[[(4-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-2-methoxyphenol
CID 51497042
N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 43818433
N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 46962825
N-[(2,3-dimethoxyphenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 46954450
N-benzyl-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 60565455
N-benzyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171672090

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine (CID 46998990) is N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine is CC(C)n1cc(CN(Cc2ccc(F)cc2)CC2CCCO2)cn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The InChIKey is SPPUJGYDMBFAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O/c1-15(2)23-13-17(10-21-23)12-22(14-19-4-3-9-24-19)11-16-5-7-18(20)8-6-16/h5-8,10,13,15,19H,3-4,9,11-12,14H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine?
N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine has a molecular weight of 331.44 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 46998990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).