Name: Name:methyl 3-amino-4-(4-methyl-1H-pyrazol-1-yl)benzoate
Brand: Angene
SKU: AG01A2IM
Rating: 90 (10 reviews)

methyl 3-amino-4-(4-methyl-1H-pyrazol-1-yl)benzoate

CAS No.:

1291529-53-7

Catalog Number:

AG01A2IM

Molecular Formula:

C12H13N3O2

Molecular Weight:

231.2505

Catalog Number:

AG01A2IM

Chemical Name:

methyl 3-amino-4-(4-methyl-1H-pyrazol-1-yl)benzoate

CAS Number:

1291529-53-7

Molecular Formula:

C12H13N3O2

Molecular Weight:

231.2505

MDL Number:

MFCD13343553

IUPAC Name:

methyl 3-amino-4-(4-methylpyrazol-1-yl)benzoate

InChI:

InChI=1S/C12H13N3O2/c1-8-6-14-15(7-8)11-4-3-9(5-10(11)13)12(16)17-2/h3-7H,13H2,1-2H3

InChI Key:

BEIJDKVQTFRBSK-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc(c(c1)N)n1ncc(c1)C

Complexity:

285

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.255g/mol

Monoisotopic Mass:

231.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4