N-[1-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine

C17H25N3O — CID 105107339

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1OC)c1cnn(C)c1C
InChIInChI=1S/C17H25N3O/c1-5-10-18-16(15-12-19-20(3)13(15)2)11-14-8-6-7-9-17(14)21-4/h6-9,12,16,18H,5,10-11H2,1-4H3
InChIKeyFKZSGCXIGAOSRJ-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.02
Rot. Bonds7

About N-[1-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine

N-[1-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine (PubChem CID 105107339) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
PubChem CID105107339
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1OC)c1cnn(C)c1C
InChIInChI=1S/C17H25N3O/c1-5-10-18-16(15-12-19-20(3)13(15)2)11-14-8-6-7-9-17(14)21-4/h6-9,12,16,18H,5,10-11H2,1-4H3
InChIKeyFKZSGCXIGAOSRJ-UHFFFAOYSA-N
XLogP3.02
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 105118243
N-[2-(2-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
CID 82903206
N-[1-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 105107654
N-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105085259
2-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyanilino)ethanol
CID 79584117
methyl 3-(1,5-dimethylpyrazol-4-yl)-3-(propylamino)propanoate
CID 79595786
N-[2-(2-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105107566
1-(1,5-dimethylpyrazol-4-yl)-3-ethyl-N-propylpentan-1-amine
CID 105176674
N-[1-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105171430
1-(1,5-dimethylpyrazol-4-yl)-N-propylhex-4-yn-1-amine
CID 105181368
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-[2-(4-bromothiophen-2-yl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105139141

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine (CID 105107339) is N-[1-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1OC)c1cnn(C)c1C.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine?
The InChIKey is FKZSGCXIGAOSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-10-18-16(15-12-19-20(3)13(15)2)11-14-8-6-7-9-17(14)21-4/h6-9,12,16,18H,5,10-11H2,1-4H3.
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine?
N-[1-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 105107339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).