N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-methoxyphenyl)methyl]ethanamine

C16H23N3O — CID 105086597

IUPACN-[(2-ethyl-5-methylpyrazol-3-yl)-(3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1)c1cc(C)nn1CC
InChIInChI=1S/C16H23N3O/c1-5-17-16(13-8-7-9-14(11-13)20-4)15-10-12(3)18-19(15)6-2/h7-11,16-17H,5-6H2,1-4H3
InChIKeyMFAHUDDYWSNNFL-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.92
Rot. Bonds6

About N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-methoxyphenyl)methyl]ethanamine

N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-methoxyphenyl)methyl]ethanamine (PubChem CID 105086597) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-5-methylpyrazol-3-yl)-(3-methoxyphenyl)methyl]ethanamine
PubChem CID105086597
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(2-ethyl-5-methylpyrazol-3-yl)-(3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1)c1cc(C)nn1CC
InChIInChI=1S/C16H23N3O/c1-5-17-16(13-8-7-9-14(11-13)20-4)15-10-12(3)18-19(15)6-2/h7-11,16-17H,5-6H2,1-4H3
InChIKeyMFAHUDDYWSNNFL-UHFFFAOYSA-N
XLogP2.92
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]hydrazine
CID 105328071
N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60797781
N-[(1,3-diethylpyrazol-5-yl)-(4-methoxyphenyl)methyl]ethanamine
CID 105095176
N-[(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 105145044
N-[(2-chlorophenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 105099923
N-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 55007060
[(2-ethyl-5-methylpyrazol-3-yl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105329790
N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 105086489
N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492453
[(2,5-dimethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]hydrazine
CID 105305109
N-[(3,5-dibromophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 107973557
N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 43489444

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-methoxyphenyl)methyl]ethanamine (CID 105086597) is N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-methoxyphenyl)methyl]ethanamine is CCNC(c1cccc(OC)c1)c1cc(C)nn1CC.
What is the InChIKey of N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-methoxyphenyl)methyl]ethanamine?
The InChIKey is MFAHUDDYWSNNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-17-16(13-8-7-9-14(11-13)20-4)15-10-12(3)18-19(15)6-2/h7-11,16-17H,5-6H2,1-4H3.
What are the key properties of N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-methoxyphenyl)methyl]ethanamine?
N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-methoxyphenyl)methyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 105086597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).