N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-(2,4,6-trimethylphenyl)ethanamine

C20H24N4 — CID 71889196

IUPACN-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(CCNCc2cn[nH]c2-c2cccnc2)c(C)c1
InChIInChI=1S/C20H24N4/c1-14-9-15(2)19(16(3)10-14)6-8-22-12-18-13-23-24-20(18)17-5-4-7-21-11-17/h4-5,7,9-11,13,22H,6,8,12H2,1-3H3,(H,23,24)
InChIKeyGQGJHWHDAIGELF-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.73
Rot. Bonds6

About N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-(2,4,6-trimethylphenyl)ethanamine

N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 71889196) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-(2,4,6-trimethylphenyl)ethanamine
PubChem CID71889196
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC NameN-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(CCNCc2cn[nH]c2-c2cccnc2)c(C)c1
InChIInChI=1S/C20H24N4/c1-14-9-15(2)19(16(3)10-14)6-8-22-12-18-13-23-24-20(18)17-5-4-7-21-11-17/h4-5,7,9-11,13,22H,6,8,12H2,1-3H3,(H,23,24)
InChIKeyGQGJHWHDAIGELF-UHFFFAOYSA-N
XLogP3.73
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-(2,4,6-trimethylphenyl)ethanamine (CID 71889196) is N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-(2,4,6-trimethylphenyl)ethanamine is Cc1cc(C)c(CCNCc2cn[nH]c2-c2cccnc2)c(C)c1.
What is the InChIKey of N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is GQGJHWHDAIGELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-14-9-15(2)19(16(3)10-14)6-8-22-12-18-13-23-24-20(18)17-5-4-7-21-11-17/h4-5,7,9-11,13,22H,6,8,12H2,1-3H3,(H,23,24).
What are the key properties of N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-(2,4,6-trimethylphenyl)ethanamine?
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 320.44 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 71889196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).