N-ethyl-1-[2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine

C16H23N3O — CID 60883036

IUPACN-ethyl-1-[2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine
SMILESCCNC(CC)c1ccccc1OCc1cnn(C)c1
InChIInChI=1S/C16H23N3O/c1-4-15(17-5-2)14-8-6-7-9-16(14)20-12-13-10-18-19(3)11-13/h6-11,15,17H,4-5,12H2,1-3H3
InChIKeyUEUKZJMEBBDSLA-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.06
Rot. Bonds7

About N-ethyl-1-[2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine

N-ethyl-1-[2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine (PubChem CID 60883036) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-ethyl-1-[2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine
PubChem CID60883036
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-ethyl-1-[2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine
SMILESCCNC(CC)c1ccccc1OCc1cnn(C)c1
InChIInChI=1S/C16H23N3O/c1-4-15(17-5-2)14-8-6-7-9-16(14)20-12-13-10-18-19(3)11-13/h6-11,15,17H,4-5,12H2,1-3H3
InChIKeyUEUKZJMEBBDSLA-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-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine
CID 60889160
1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylpropan-1-amine
CID 62128091
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 62126641
1-[4-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-ethylethanamine
CID 102947792
N-ethyl-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-amine
CID 60882662
potassium trifluoro-[2-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide
CID 63675296
1-methyl-4-[2-(2-propan-2-ylphenoxy)ethyl]pyrazole
CID 103016128
N-ethyl-2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115821262
N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine
CID 54935500
1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine
CID 63501142
methyl 2-[2-[1-(ethylamino)propyl]phenoxy]acetate
CID 60881530
1-[2-(cyclopropylmethoxymethoxy)phenyl]-N-ethylpropan-1-amine
CID 106929153

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine?
The IUPAC name of N-ethyl-1-[2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine (CID 60883036) is N-ethyl-1-[2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine is CCNC(CC)c1ccccc1OCc1cnn(C)c1.
What is the InChIKey of N-ethyl-1-[2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine?
The InChIKey is UEUKZJMEBBDSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-15(17-5-2)14-8-6-7-9-16(14)20-12-13-10-18-19(3)11-13/h6-11,15,17H,4-5,12H2,1-3H3.
What are the key properties of N-ethyl-1-[2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine?
N-ethyl-1-[2-[(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-[2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 60883036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).