N-[(2-ethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine

C16H22FN3 — CID 63976818

IUPACN-[(2-ethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1C)c1ccnn1CC
InChIInChI=1S/C16H22FN3/c1-4-9-18-16(15-8-10-19-20(15)5-2)14-11-13(17)7-6-12(14)3/h6-8,10-11,16,18H,4-5,9H2,1-3H3
InChIKeyRBJDMGYLWFHOOP-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.44
Rot. Bonds6

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

N-[(2-ethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine (PubChem CID 63976818) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
PubChem CID63976818
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-[(2-ethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1C)c1ccnn1CC
InChIInChI=1S/C16H22FN3/c1-4-9-18-16(15-8-10-19-20(15)5-2)14-11-13(17)7-6-12(14)3/h6-8,10-11,16,18H,4-5,9H2,1-3H3
InChIKeyRBJDMGYLWFHOOP-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-fluoro-2-methylphenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 63976817
N-[(2-bromo-5-fluorophenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 115857698
1-(2-ethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 81276228
N-[(5-fluoro-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63960984
N-[(3-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 64713123
N-[(2-ethylpyrazol-3-yl)-phenylmethyl]propan-1-amine
CID 63976584
N-[(1-ethylimidazol-2-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63049324
N-[(2,5-dibromophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 115857989
N-[(2-ethylpyrazol-3-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 63976367
N-[(2,5-dimethylfuran-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63047740
N-[(5-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 114886623
N-[(2-ethylpyrazol-3-yl)-(4-iodophenyl)methyl]propan-1-amine
CID 115858269

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine (CID 63976818) is N-[(2-ethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine is CCCNC(c1cc(F)ccc1C)c1ccnn1CC.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine?
The InChIKey is RBJDMGYLWFHOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-4-9-18-16(15-8-10-19-20(15)5-2)14-11-13(17)7-6-12(14)3/h6-8,10-11,16,18H,4-5,9H2,1-3H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine?
N-[(2-ethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 63976818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).