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

C16H22FN3O — CID 105180698

IUPACN-[2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(OC)c1F)c1ccnn1C
InChIInChI=1S/C16H22FN3O/c1-4-9-18-13(14-8-10-19-20(14)2)11-12-6-5-7-15(21-3)16(12)17/h5-8,10,13,18H,4,9,11H2,1-3H3
InChIKeyIISIOJHARJRBRL-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.85
Rot. Bonds7

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

N-[2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 105180698) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID105180698
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN-[2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(OC)c1F)c1ccnn1C
InChIInChI=1S/C16H22FN3O/c1-4-9-18-13(14-8-10-19-20(14)2)11-12-6-5-7-15(21-3)16(12)17/h5-8,10,13,18H,4,9,11H2,1-3H3
InChIKeyIISIOJHARJRBRL-UHFFFAOYSA-N
XLogP2.85
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105377437
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554076
N-[2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
CID 105180640
2-(2-fluoro-3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanol
CID 114556975
N-[2-(2,6-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 63963522
[2-(2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105204926
1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine
CID 79411759
1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine
CID 104794123
N-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 63960985
N-[1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 104792966
N-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 63963538
5-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-2-amine
CID 104795127

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine (CID 105180698) is N-[2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine is CCCNC(Cc1cccc(OC)c1F)c1ccnn1C.
What is the InChIKey of N-[2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is IISIOJHARJRBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-4-9-18-13(14-8-10-19-20(14)2)11-12-6-5-7-15(21-3)16(12)17/h5-8,10,13,18H,4,9,11H2,1-3H3.
What are the key properties of N-[2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
N-[2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine has a molecular weight of 291.37 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105180698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).