N-[(1,3-diethylpyrazol-5-yl)-(4-methoxyphenyl)methyl]ethanamine

C17H25N3O — CID 105095176

IUPACN-[(1,3-diethylpyrazol-5-yl)-(4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1)c1cc(CC)nn1CC
InChIInChI=1S/C17H25N3O/c1-5-14-12-16(20(7-3)19-14)17(18-6-2)13-8-10-15(21-4)11-9-13/h8-12,17-18H,5-7H2,1-4H3
InChIKeyZLTJDNZAVIBQKV-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.17
Rot. Bonds7

About N-[(1,3-diethylpyrazol-5-yl)-(4-methoxyphenyl)methyl]ethanamine

N-[(1,3-diethylpyrazol-5-yl)-(4-methoxyphenyl)methyl]ethanamine (PubChem CID 105095176) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[(1,3-diethylpyrazol-5-yl)-(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1,3-diethylpyrazol-5-yl)-(4-methoxyphenyl)methyl]ethanamine
PubChem CID105095176
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[(1,3-diethylpyrazol-5-yl)-(4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1)c1cc(CC)nn1CC
InChIInChI=1S/C17H25N3O/c1-5-14-12-16(20(7-3)19-14)17(18-6-2)13-8-10-15(21-4)11-9-13/h8-12,17-18H,5-7H2,1-4H3
InChIKeyZLTJDNZAVIBQKV-UHFFFAOYSA-N
XLogP3.17
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105140865
N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 105086597
N-[(4-ethylphenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489197
[(1,3-diethylpyrazol-5-yl)-(4-fluorophenyl)methyl]hydrazine
CID 105284076
[2-(1,3-diethylpyrazol-5-yl)-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105190937
N-[(4-chloro-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]ethanamine
CID 105173638
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43489198
N-[(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302641
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
N-[(3-bromo-2-fluorophenyl)-(1,3-diethylpyrazol-5-yl)methyl]ethanamine
CID 106647758
N-[(1,3-diethylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 105109029
N-[(3,5-difluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489212

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diethylpyrazol-5-yl)-(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(1,3-diethylpyrazol-5-yl)-(4-methoxyphenyl)methyl]ethanamine (CID 105095176) is N-[(1,3-diethylpyrazol-5-yl)-(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(1,3-diethylpyrazol-5-yl)-(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(1,3-diethylpyrazol-5-yl)-(4-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(OC)cc1)c1cc(CC)nn1CC.
What is the InChIKey of N-[(1,3-diethylpyrazol-5-yl)-(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is ZLTJDNZAVIBQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-14-12-16(20(7-3)19-14)17(18-6-2)13-8-10-15(21-4)11-9-13/h8-12,17-18H,5-7H2,1-4H3.
What are the key properties of N-[(1,3-diethylpyrazol-5-yl)-(4-methoxyphenyl)methyl]ethanamine?
N-[(1,3-diethylpyrazol-5-yl)-(4-methoxyphenyl)methyl]ethanamine has a molecular weight of 287.41 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diethylpyrazol-5-yl)-(4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 105095176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).