Name: Name:4-amino-1-methyl-2-phenyl-5-(propan-2-yl)-2,3-dihydro-1H-pyrazol-3-one
Brand: Angene
SKU: AG00IG4L
Rating: 90 (10 reviews)

4-amino-1-methyl-2-phenyl-5-(propan-2-yl)-2,3-dihydro-1H-pyrazol-3-one

CAS No.:

903895-80-7

Catalog Number:

AG00IG4L

Molecular Formula:

C13H17N3O

Molecular Weight:

231.2936

Catalog Number:

AG00IG4L

Chemical Name:

4-amino-1-methyl-2-phenyl-5-(propan-2-yl)-2,3-dihydro-1H-pyrazol-3-one

CAS Number:

903895-80-7

Molecular Formula:

C13H17N3O

Molecular Weight:

231.2936

MDL Number:

MFCD09403626

IUPAC Name:

4-amino-1-methyl-2-phenyl-5-propan-2-ylpyrazol-3-one

InChI:

InChI=1S/C13H17N3O/c1-9(2)12-11(14)13(17)16(15(12)3)10-7-5-4-6-8-10/h4-9H,14H2,1-3H3

InChI Key:

KFIPHSKGODIRPV-UHFFFAOYSA-N

SMILES:

CC(c1c(N)c(=O)n(n1C)c1ccccc1)C

Complexity:

343

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.137g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.299g/mol

Monoisotopic Mass:

231.137g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9