Name: Name:1,3-dimethyl 5-[4-(1H-pyrazol-1-yl)benzamido]benzene-1,3-dicarboxylate
Brand: Angene
SKU: AG01BBGR
Rating: 90 (10 reviews)

1,3-dimethyl 5-[4-(1H-pyrazol-1-yl)benzamido]benzene-1,3-dicarboxylate

CAS No.:

1185017-23-5

Catalog Number:

AG01BBGR

Molecular Formula:

C20H17N3O5

Molecular Weight:

379.3661

Catalog Number:

AG01BBGR

Chemical Name:

1,3-dimethyl 5-[4-(1H-pyrazol-1-yl)benzamido]benzene-1,3-dicarboxylate

CAS Number:

1185017-23-5

Molecular Formula:

C20H17N3O5

Molecular Weight:

379.3661

MDL Number:

MFCD11739036

IUPAC Name:

dimethyl 5-[(4-pyrazol-1-ylbenzoyl)amino]benzene-1,3-dicarboxylate

InChI:

InChI=1S/C20H17N3O5/c1-27-19(25)14-10-15(20(26)28-2)12-16(11-14)22-18(24)13-4-6-17(7-5-13)23-9-3-8-21-23/h3-12H,1-2H3,(H,22,24)

InChI Key:

SVZNTTHIESEFGJ-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(cc(c1)C(=O)OC)NC(=O)c1ccc(cc1)n1cccn1

Complexity:

552

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

379.117g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

379.372g/mol

Monoisotopic Mass:

379.117g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

99.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4