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

C17H25N3O — CID 105145044

IUPACN-[(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccccc1OCC)c1cc(C)nn1CC
InChIInChI=1S/C17H25N3O/c1-5-18-17(15-12-13(4)19-20(15)6-2)14-10-8-9-11-16(14)21-7-3/h8-12,17-18H,5-7H2,1-4H3
InChIKeyKISZFSMQWBZMIT-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.31
Rot. Bonds7

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

N-[(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 105145044) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID105145044
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccccc1OCC)c1cc(C)nn1CC
InChIInChI=1S/C17H25N3O/c1-5-18-17(15-12-13(4)19-20(15)6-2)14-10-8-9-11-16(14)21-7-3/h8-12,17-18H,5-7H2,1-4H3
InChIKeyKISZFSMQWBZMIT-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 105099923
(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methanamine
CID 105145003
N-[(2,5-dimethylpyrazol-3-yl)-(2-methoxyphenyl)methyl]ethanamine
CID 105093278
[(1,3-diethylpyrazol-5-yl)-(2-ethoxyphenyl)methyl]hydrazine
CID 105304394
N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 105086597
N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methoxyphenyl)ethanamine
CID 105107708
N-[(2-ethoxyphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 65200592
N-[(2,6-difluoro-3-methylphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 105175912
(2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 105092804
N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105182281
[(3-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]hydrazine
CID 105328071
N-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105099548

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine (CID 105145044) is N-[(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine is CCNC(c1ccccc1OCC)c1cc(C)nn1CC.
What is the InChIKey of N-[(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is KISZFSMQWBZMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-18-17(15-12-13(4)19-20(15)6-2)14-10-8-9-11-16(14)21-7-3/h8-12,17-18H,5-7H2,1-4H3.
What are the key properties of N-[(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine?
N-[(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 287.41 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 105145044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).