Name: Name:N-(5-(3-Chlorophenyl)-2,7-dioxo-1,2,4,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)acetamide
Brand: Angene
SKU: AG000OL8
Rating: 90 (10 reviews)

N-(5-(3-Chlorophenyl)-2,7-dioxo-1,2,4,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)acetamide

CAS No.:

1257440-43-9

Catalog Number:

AG000OL8

Molecular Formula:

C14H11ClN4O3

Molecular Weight:

318.7151

Catalog Number:

AG000OL8

Chemical Name:

N-(5-(3-Chlorophenyl)-2,7-dioxo-1,2,4,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)acetamide

CAS Number:

1257440-43-9

Molecular Formula:

C14H11ClN4O3

Molecular Weight:

318.7151

MDL Number:

MFCD26406742

IUPAC Name:

N-[5-(3-chlorophenyl)-2,7-dioxo-1,4-dihydropyrazolo[1,5-a]pyrimidin-3-yl]acetamide

InChI:

InChI=1S/C14H11ClN4O3/c1-7(20)16-12-13-17-10(8-3-2-4-9(15)5-8)6-11(21)19(13)18-14(12)22/h2-6,17H,1H3,(H,16,20)(H,18,22)

InChI Key:

MTHMIUYBZDSMHI-UHFFFAOYSA-N

SMILES:

CC(=O)Nc1c(=O)[nH]n2c1[nH]c(cc2=O)c1cccc(c1)Cl

Complexity:

613

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

318.052g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

318.717g/mol

Monoisotopic Mass:

318.052g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

90.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8