1-(3-fluoro-4-methylphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine

C16H22FN3 — CID 114555942

IUPAC1-(3-fluoro-4-methylphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
SMILESCCCn1nccc1CNC(C)c1ccc(C)c(F)c1
InChIInChI=1S/C16H22FN3/c1-4-9-20-15(7-8-19-20)11-18-13(3)14-6-5-12(2)16(17)10-14/h5-8,10,13,18H,4,9,11H2,1-3H3
InChIKeyCRJGQXUHBZJLQK-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.59
Rot. Bonds6

About 1-(3-fluoro-4-methylphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine

1-(3-fluoro-4-methylphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine (PubChem CID 114555942) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
PubChem CID114555942
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
SMILESCCCn1nccc1CNC(C)c1ccc(C)c(F)c1
InChIInChI=1S/C16H22FN3/c1-4-9-20-15(7-8-19-20)11-18-13(3)14-6-5-12(2)16(17)10-14/h5-8,10,13,18H,4,9,11H2,1-3H3
InChIKeyCRJGQXUHBZJLQK-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986059
(1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986058
3-[1-[(2-propylpyrazol-3-yl)methylamino]ethyl]phenol
CID 114555438
1-(4-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114555894
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
1-(2-chlorophenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114554830
3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine
CID 114555629
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 115885783
4-methyl-N-[(2-propylpyrazol-3-yl)methyl]hexan-2-amine
CID 114555867
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 82885094
1-(3,5-dimethylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 79479697
N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 115762173

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine (CID 114555942) is 1-(3-fluoro-4-methylphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine is CCCn1nccc1CNC(C)c1ccc(C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is CRJGQXUHBZJLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-4-9-20-15(7-8-19-20)11-18-13(3)14-6-5-12(2)16(17)10-14/h5-8,10,13,18H,4,9,11H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine?
1-(3-fluoro-4-methylphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 275.37 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 114555942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).