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

C15H21N3O — CID 116792890

IUPACN-[1-[2-(1-methylpyrazol-4-yl)oxyphenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1Oc1cnn(C)c1
InChIInChI=1S/C15H21N3O/c1-4-9-16-12(2)14-7-5-6-8-15(14)19-13-10-17-18(3)11-13/h5-8,10-12,16H,4,9H2,1-3H3
InChIKeyBBRLPBFFSUDONT-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.27
Rot. Bonds6

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

N-[1-[2-(1-methylpyrazol-4-yl)oxyphenyl]ethyl]propan-1-amine (PubChem CID 116792890) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[1-[2-(1-methylpyrazol-4-yl)oxyphenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(1-methylpyrazol-4-yl)oxyphenyl]ethyl]propan-1-amine
PubChem CID116792890
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[1-[2-(1-methylpyrazol-4-yl)oxyphenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1Oc1cnn(C)c1
InChIInChI=1S/C15H21N3O/c1-4-9-16-12(2)14-7-5-6-8-15(14)19-13-10-17-18(3)11-13/h5-8,10-12,16H,4,9H2,1-3H3
InChIKeyBBRLPBFFSUDONT-UHFFFAOYSA-N
XLogP3.27
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285515
N-[1-[2-(4-iodophenoxy)phenyl]ethyl]propan-1-amine
CID 43285908
N-[1-[2-(3-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285606
1-[2-methoxy-6-(1-methylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
CID 116792885
N-[1-[2-(1-ethylpyrazol-4-yl)oxy-6-fluorophenyl]ethyl]propan-1-amine
CID 116801654
2-ethoxy-6-(1-methylpyrazol-4-yl)oxyaniline
CID 116792382
1-[2-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]-N-ethylethanamine
CID 116792891
1-[2-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol
CID 116801944
N-[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethyl]propan-1-amine
CID 81341286
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol
CID 116802017
N-ethyl-1-[5-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801803
N-[1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60888002

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1-methylpyrazol-4-yl)oxyphenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(1-methylpyrazol-4-yl)oxyphenyl]ethyl]propan-1-amine (CID 116792890) is N-[1-[2-(1-methylpyrazol-4-yl)oxyphenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(1-methylpyrazol-4-yl)oxyphenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(1-methylpyrazol-4-yl)oxyphenyl]ethyl]propan-1-amine is CCCNC(C)c1ccccc1Oc1cnn(C)c1.
What is the InChIKey of N-[1-[2-(1-methylpyrazol-4-yl)oxyphenyl]ethyl]propan-1-amine?
The InChIKey is BBRLPBFFSUDONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-9-16-12(2)14-7-5-6-8-15(14)19-13-10-17-18(3)11-13/h5-8,10-12,16H,4,9H2,1-3H3.
What are the key properties of N-[1-[2-(1-methylpyrazol-4-yl)oxyphenyl]ethyl]propan-1-amine?
N-[1-[2-(1-methylpyrazol-4-yl)oxyphenyl]ethyl]propan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1-methylpyrazol-4-yl)oxyphenyl]ethyl]propan-1-amine is sourced from PubChem (CID 116792890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).