N-[1-(2-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine

C16H23N3O — CID 82877328

IUPACN-[1-(2-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccn(C)n1)c1ccccc1OC
InChIInChI=1S/C16H23N3O/c1-4-10-17-15(12-13-9-11-19(2)18-13)14-7-5-6-8-16(14)20-3/h5-9,11,15,17H,4,10,12H2,1-3H3
InChIKeyFHXNHAUYWXNVFE-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.71
Rot. Bonds7

About N-[1-(2-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine

N-[1-(2-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 82877328) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID82877328
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[1-(2-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccn(C)n1)c1ccccc1OC
InChIInChI=1S/C16H23N3O/c1-4-10-17-15(12-13-9-11-19(2)18-13)14-7-5-6-8-16(14)20-3/h5-9,11,15,17H,4,10,12H2,1-3H3
InChIKeyFHXNHAUYWXNVFE-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-chloro-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82878248
N-[1-(3-bromo-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 107953506
N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82876021
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-[1-(2-bromo-5-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105025657
N-[2-(1-ethylimidazol-2-yl)-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 79751737
N-[1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 102952007
N-[1-(2-methoxyphenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551587
N-[1-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82877708
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876321
N-ethyl-2-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylethanamine
CID 82868513
N-[1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82877484

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine (CID 82877328) is N-[1-(2-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccn(C)n1)c1ccccc1OC.
What is the InChIKey of N-[1-(2-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is FHXNHAUYWXNVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-10-17-15(12-13-9-11-19(2)18-13)14-7-5-6-8-16(14)20-3/h5-9,11,15,17H,4,10,12H2,1-3H3.
What are the key properties of N-[1-(2-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine?
N-[1-(2-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.71, 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)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 82877328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).