N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine

C15H14N4S — CID 6906400

IUPACN-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine
SMILESCN/N=C/c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C15H14N4S/c1-16-17-10-12-11-19(13-6-3-2-4-7-13)18-15(12)14-8-5-9-20-14/h2-11,16H,1H3/b17-10+
InChIKeyIVIOPSTVVZDTKJ-LICLKQGHSA-N
MW282.37 g/mol
LogP3.15
Rot. Bonds4

About N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine

N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine (PubChem CID 6906400) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine.

Molecular Properties

Compound NameN-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine
PubChem CID6906400
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC NameN-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine
SMILESCN/N=C/c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C15H14N4S/c1-16-17-10-12-11-19(13-6-3-2-4-7-13)18-15(12)14-8-5-9-20-14/h2-11,16H,1H3/b17-10+
InChIKeyIVIOPSTVVZDTKJ-LICLKQGHSA-N
XLogP3.15
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
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-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine?
The IUPAC name of N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine (CID 6906400) is N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine.
What is the SMILES notation for N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine?
The canonical SMILES for N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine is CN/N=C/c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine?
The InChIKey is IVIOPSTVVZDTKJ-LICLKQGHSA-N. The full InChI is InChI=1S/C15H14N4S/c1-16-17-10-12-11-19(13-6-3-2-4-7-13)18-15(12)14-8-5-9-20-14/h2-11,16H,1H3/b17-10+.
What are the key properties of N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine?
N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine has a molecular weight of 282.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]methanamine is sourced from PubChem (CID 6906400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).