N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine

C15H20FN3O — CID 105176495

IUPACN-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1OC)c1cc(C)nn1C
InChIInChI=1S/C15H20FN3O/c1-5-17-15(13-8-10(2)18-19(13)3)12-9-11(16)6-7-14(12)20-4/h6-9,15,17H,5H2,1-4H3
InChIKeyQIVKZEHYXOQHRV-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.58
Rot. Bonds5

About N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine

N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine (PubChem CID 105176495) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
PubChem CID105176495
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1OC)c1cc(C)nn1C
InChIInChI=1S/C15H20FN3O/c1-5-17-15(13-8-10(2)18-19(13)3)12-9-11(16)6-7-14(12)20-4/h6-9,15,17H,5H2,1-4H3
InChIKeyQIVKZEHYXOQHRV-UHFFFAOYSA-N
XLogP2.58
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dimethylpyrazol-3-yl)-(2-methoxyphenyl)methyl]ethanamine
CID 105093278
N-[(5-chloro-2-methoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105140922
N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 105142391
N-[(2,4-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105143642
N-[(1,5-dimethylpyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 105176578
N-[(2,6-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105188698
N-[(2,6-dimethyl-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 107503890
N-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105099548
N-[(2,5-dimethylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 105146439
N-[(5-fluoro-2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 82769072
N-[(5-fluoro-2-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 82769775
N-[(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105142188

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine (CID 105176495) is N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine is CCNC(c1cc(F)ccc1OC)c1cc(C)nn1C.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine?
The InChIKey is QIVKZEHYXOQHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-5-17-15(13-8-10(2)18-19(13)3)12-9-11(16)6-7-14(12)20-4/h6-9,15,17H,5H2,1-4H3.
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine?
N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine has a molecular weight of 277.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 105176495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).