Name: Name:[(1-benzyl-1H-pyrazol-4-yl)methyl](methyl)amine
Brand: Angene
SKU: AG019M3V
Rating: 90 (10 reviews)

[(1-benzyl-1H-pyrazol-4-yl)methyl](methyl)amine

CAS No.:

956438-25-8

Catalog Number:

AG019M3V

Molecular Formula:

C12H15N3

Molecular Weight:

201.2676

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Product Description

Catalog Number:

AG019M3V

Chemical Name:

[(1-benzyl-1H-pyrazol-4-yl)methyl](methyl)amine

CAS Number:

956438-25-8

Molecular Formula:

C12H15N3

Molecular Weight:

201.2676

MDL Number:

MFCD07686045

IUPAC Name:

1-(1-benzylpyrazol-4-yl)-N-methylmethanamine

InChI:

InChI=1S/C12H15N3/c1-13-7-12-8-14-15(10-12)9-11-5-3-2-4-6-11/h2-6,8,10,13H,7,9H2,1H3

InChI Key:

GNNFYIHJZHYNQJ-UHFFFAOYSA-N

SMILES:

CNCc1cnn(c1)Cc1ccccc1

Properties

Complexity:

178

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

201.127g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

201.273g/mol

Monoisotopic Mass:

201.127g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101