N-[[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine

C17H25N3 — CID 66480856

IUPACN-[[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2c(C)nn(CC)c2C)c(C)c1
InChIInChI=1S/C17H25N3/c1-6-18-11-15-8-9-16(12(3)10-15)17-13(4)19-20(7-2)14(17)5/h8-10,18H,6-7,11H2,1-5H3
InChIKeyOHVDQYBBVUOQPE-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.60
Rot. Bonds5

About N-[[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine

N-[[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine (PubChem CID 66480856) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine
PubChem CID66480856
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2c(C)nn(CC)c2C)c(C)c1
InChIInChI=1S/C17H25N3/c1-6-18-11-15-8-9-16(12(3)10-15)17-13(4)19-20(7-2)14(17)5/h8-10,18H,6-7,11H2,1-5H3
InChIKeyOHVDQYBBVUOQPE-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine (CID 66480856) is N-[[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine is CCNCc1ccc(-c2c(C)nn(CC)c2C)c(C)c1.
What is the InChIKey of N-[[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine?
The InChIKey is OHVDQYBBVUOQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-6-18-11-15-8-9-16(12(3)10-15)17-13(4)19-20(7-2)14(17)5/h8-10,18H,6-7,11H2,1-5H3.
What are the key properties of N-[[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine?
N-[[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 66480856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).