N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine

C23H25N5O — CID 119125389

IUPACN-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
SMILESCc1noc(C)c1CCNCc1cn(Cc2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C23H25N5O/c1-17-22(18(2)29-27-17)10-12-25-14-21-16-28(15-19-7-4-3-5-8-19)26-23(21)20-9-6-11-24-13-20/h3-9,11,13,16,25H,10,12,14-15H2,1-2H3
InChIKeyZEGYIVZGYQCWMN-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.93
Rot. Bonds8

About N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine

N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine (PubChem CID 119125389) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
PubChem CID119125389
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
SMILESCc1noc(C)c1CCNCc1cn(Cc2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C23H25N5O/c1-17-22(18(2)29-27-17)10-12-25-14-21-16-28(15-19-7-4-3-5-8-19)26-23(21)20-9-6-11-24-13-20/h3-9,11,13,16,25H,10,12,14-15H2,1-2H3
InChIKeyZEGYIVZGYQCWMN-UHFFFAOYSA-N
XLogP3.93
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine?
The IUPAC name of N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine (CID 119125389) is N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine.
What is the SMILES notation for N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine?
The canonical SMILES for N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine is Cc1noc(C)c1CCNCc1cn(Cc2ccccc2)nc1-c1cccnc1.
What is the InChIKey of N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine?
The InChIKey is ZEGYIVZGYQCWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-17-22(18(2)29-27-17)10-12-25-14-21-16-28(15-19-7-4-3-5-8-19)26-23(21)20-9-6-11-24-13-20/h3-9,11,13,16,25H,10,12,14-15H2,1-2H3.
What are the key properties of N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine?
N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine has a molecular weight of 387.49 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine is sourced from PubChem (CID 119125389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).