N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-phenylethanamine

C16H23N3 — CID 105085053

IUPACN-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-phenylethanamine
SMILESCCNC(Cc1ccccc1)c1cc(C)nn1CC
InChIInChI=1S/C16H23N3/c1-4-17-15(12-14-9-7-6-8-10-14)16-11-13(3)18-19(16)5-2/h6-11,15,17H,4-5,12H2,1-3H3
InChIKeyPCBNQBJAYPKJLP-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.10
Rot. Bonds6

About N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-phenylethanamine

N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-phenylethanamine (PubChem CID 105085053) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-phenylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-phenylethanamine
PubChem CID105085053
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-phenylethanamine
SMILESCCNC(Cc1ccccc1)c1cc(C)nn1CC
InChIInChI=1S/C16H23N3/c1-4-17-15(12-14-9-7-6-8-10-14)16-11-13(3)18-19(16)5-2/h6-11,15,17H,4-5,12H2,1-3H3
InChIKeyPCBNQBJAYPKJLP-UHFFFAOYSA-N
XLogP3.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105176065
N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methoxyphenyl)ethanamine
CID 105107708
N-[2-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105085268
N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-4,4,4-trifluorobutan-1-amine
CID 105156471
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 105151896
1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-phenylethanamine
CID 105084399
N-[(2-chlorophenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 105099923
N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030441
N-[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105114437
N-[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 105113696
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-phenylethanamine
CID 114647076
N-[(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 105145044

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-phenylethanamine?
The IUPAC name of N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-phenylethanamine (CID 105085053) is N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-phenylethanamine.
What is the SMILES notation for N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-phenylethanamine?
The canonical SMILES for N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-phenylethanamine is CCNC(Cc1ccccc1)c1cc(C)nn1CC.
What is the InChIKey of N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-phenylethanamine?
The InChIKey is PCBNQBJAYPKJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-17-15(12-14-9-7-6-8-10-14)16-11-13(3)18-19(16)5-2/h6-11,15,17H,4-5,12H2,1-3H3.
What are the key properties of N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-phenylethanamine?
N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-phenylethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-phenylethanamine is sourced from PubChem (CID 105085053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).