N-[[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine

C16H23N3O — CID 62730862

IUPACN-[[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccccc1Cn1cc(CNCC(C)C)cn1
InChIInChI=1S/C16H23N3O/c1-13(2)8-17-9-14-10-18-19(11-14)12-15-6-4-5-7-16(15)20-3/h4-7,10-11,13,17H,8-9,12H2,1-3H3
InChIKeyKDTKUIAGWYQGPJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.69
Rot. Bonds7

About N-[[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62730862) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID62730862
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccccc1Cn1cc(CNCC(C)C)cn1
InChIInChI=1S/C16H23N3O/c1-13(2)8-17-9-14-10-18-19(11-14)12-15-6-4-5-7-16(15)20-3/h4-7,10-11,13,17H,8-9,12H2,1-3H3
InChIKeyKDTKUIAGWYQGPJ-UHFFFAOYSA-N
XLogP2.69
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103673603
1-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylethanamine
CID 55108884
2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 106259621
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 104794788
(2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 28612668
N-[[2-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 62442705
N-[[1-[(2-bromophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 62731931
N-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 60699444
2-methyl-N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 107053699
2-methyl-N-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 55091573
N-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 62730305
N-[[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 103412837

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine (CID 62730862) is N-[[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine is COc1ccccc1Cn1cc(CNCC(C)C)cn1.
What is the InChIKey of N-[[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is KDTKUIAGWYQGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(2)8-17-9-14-10-18-19(11-14)12-15-6-4-5-7-16(15)20-3/h4-7,10-11,13,17H,8-9,12H2,1-3H3.
What are the key properties of N-[[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62730862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).