N-[2-(5-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine

C16H22FN3 — CID 105377437

IUPACN-[2-(5-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)ccc1C)c1ccnn1C
InChIInChI=1S/C16H22FN3/c1-4-8-18-15(16-7-9-19-20(16)3)11-13-10-14(17)6-5-12(13)2/h5-7,9-10,15,18H,4,8,11H2,1-3H3
InChIKeyDJDZRQVRRYCDCM-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.15
Rot. Bonds6

About N-[2-(5-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine

N-[2-(5-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 105377437) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID105377437
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-[2-(5-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)ccc1C)c1ccnn1C
InChIInChI=1S/C16H22FN3/c1-4-8-18-15(16-7-9-19-20(16)3)11-13-10-14(17)6-5-12(13)2/h5-7,9-10,15,18H,4,8,11H2,1-3H3
InChIKeyDJDZRQVRRYCDCM-UHFFFAOYSA-N
XLogP3.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105377138
N-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 63963538
N-[2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105180698
N-[2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 105373741
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377494
N-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 63960985
N-[1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63977027
2-(3,4-dimethylphenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63963537
1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine
CID 79411759
N-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63962229
N-[1-(3-chloro-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 103444762
N-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 63961802

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine (CID 105377437) is N-[2-(5-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(F)ccc1C)c1ccnn1C.
What is the InChIKey of N-[2-(5-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is DJDZRQVRRYCDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-4-8-18-15(16-7-9-19-20(16)3)11-13-10-14(17)6-5-12(13)2/h5-7,9-10,15,18H,4,8,11H2,1-3H3.
What are the key properties of N-[2-(5-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
N-[2-(5-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105377437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).