N-ethyl-1-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine

C16H23N3O — CID 60889160

IUPACN-ethyl-1-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine
SMILESCCNC(CC)c1ccc(OCc2cnn(C)c2)cc1
InChIInChI=1S/C16H23N3O/c1-4-16(17-5-2)14-6-8-15(9-7-14)20-12-13-10-18-19(3)11-13/h6-11,16-17H,4-5,12H2,1-3H3
InChIKeyKBEGGZOEEQGMDO-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.06
Rot. Bonds7

About N-ethyl-1-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine

N-ethyl-1-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine (PubChem CID 60889160) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-ethyl-1-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine
PubChem CID60889160
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-ethyl-1-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine
SMILESCCNC(CC)c1ccc(OCc2cnn(C)c2)cc1
InChIInChI=1S/C16H23N3O/c1-4-16(17-5-2)14-6-8-15(9-7-14)20-12-13-10-18-19(3)11-13/h6-11,16-17H,4-5,12H2,1-3H3
InChIKeyKBEGGZOEEQGMDO-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine
CID 60883036
2-methyl-N-[[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63061350
1-(4-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 79003234
N-ethyl-1-(4-ethylsulfanylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 106849241
1-(3,4-dimethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 62125915
potassium trifluoro-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide
CID 55234584
N-[1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60888002
2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 62125617
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-ethylpropan-1-amine
CID 60888210
N-ethyl-2-(1-methylpyrazol-4-yl)-1-thiophen-3-ylethanamine
CID 62126444
1-[4-[(1-methyltriazol-4-yl)methoxy]phenyl]-N-propylpropan-1-amine
CID 107041224
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylpropan-1-amine
CID 63500455

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine?
The IUPAC name of N-ethyl-1-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine (CID 60889160) is N-ethyl-1-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine is CCNC(CC)c1ccc(OCc2cnn(C)c2)cc1.
What is the InChIKey of N-ethyl-1-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine?
The InChIKey is KBEGGZOEEQGMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-16(17-5-2)14-6-8-15(9-7-14)20-12-13-10-18-19(3)11-13/h6-11,16-17H,4-5,12H2,1-3H3.
What are the key properties of N-ethyl-1-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine?
N-ethyl-1-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 60889160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).