N-methyl-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]methanamine

C17H17N5 — CID 6899954

IUPACN-methyl-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]methanamine
SMILESCN(C)/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C17H17N5/c1-21(2)19-12-15-13-22(16-8-4-3-5-9-16)20-17(15)14-7-6-10-18-11-14/h3-13H,1-2H3/b19-12+
InChIKeyZPFNNLUQINIPQU-XDHOZWIPSA-N
MW291.36 g/mol
LogP2.83
Rot. Bonds4

About N-methyl-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]methanamine

N-methyl-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]methanamine (PubChem CID 6899954) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is N-methyl-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]methanamine
PubChem CID6899954
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC NameN-methyl-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]methanamine
SMILESCN(C)/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C17H17N5/c1-21(2)19-12-15-13-22(16-8-4-3-5-9-16)20-17(15)14-7-6-10-18-11-14/h3-13H,1-2H3/b19-12+
InChIKeyZPFNNLUQINIPQU-XDHOZWIPSA-N
XLogP2.83
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]methanamine?
The IUPAC name of N-methyl-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]methanamine (CID 6899954) is N-methyl-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]methanamine is CN(C)/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of N-methyl-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]methanamine?
The InChIKey is ZPFNNLUQINIPQU-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H17N5/c1-21(2)19-12-15-13-22(16-8-4-3-5-9-16)20-17(15)14-7-6-10-18-11-14/h3-13H,1-2H3/b19-12+.
What are the key properties of N-methyl-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]methanamine?
N-methyl-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]methanamine has a molecular weight of 291.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]methanamine is sourced from PubChem (CID 6899954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).