Name: Name:4-{1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}aniline
Brand: Angene
SKU: AG01EJQT
Rating: 90 (10 reviews)

4-{1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}aniline

CAS No.:

2138570-31-5

Catalog Number:

AG01EJQT

Molecular Formula:

C12H13N3O

Molecular Weight:

215.2511

Catalog Number:

AG01EJQT

Chemical Name:

4-{1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}aniline

CAS Number:

2138570-31-5

Molecular Formula:

C12H13N3O

Molecular Weight:

215.2511

MDL Number:

MFCD31609034

IUPAC Name:

4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)aniline

InChI:

InChI=1S/C12H13N3O/c13-9-3-1-8(2-4-9)12-10-7-16-6-5-11(10)14-15-12/h1-4H,5-7,13H2,(H,14,15)

InChI Key:

HWMPTEYWRBLHLJ-UHFFFAOYSA-N

SMILES:

Nc1ccc(cc1)c1n[nH]c2c1COCC2

Complexity:

240

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

215.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

215.256g/mol

Monoisotopic Mass:

215.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9