Name: Name:XRP44X
Brand: Angene
SKU: AG003VC5
Rating: 90 (10 reviews)

XRP44X

CAS No.:

729605-21-4

Catalog Number:

AG003VC5

Molecular Formula:

C21H21ClN4O

Molecular Weight:

380.8706

Catalog Number:

AG003VC5

Chemical Name:

XRP44X

CAS Number:

729605-21-4

Molecular Formula:

C21H21ClN4O

Molecular Weight:

380.8706

MDL Number:

MFCD12828749

IUPAC Name:

[4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-2-phenylpyrazol-3-yl)methanone

InChI:

InChI=1S/C21H21ClN4O/c1-16-14-20(26(23-16)18-7-3-2-4-8-18)21(27)25-12-10-24(11-13-25)19-9-5-6-17(22)15-19/h2-9,14-15H,10-13H2,1H3

InChI Key:

NPHPNBGYPKBDDB-UHFFFAOYSA-N

SMILES:

Clc1cccc(c1)N1CCN(CC1)C(=O)c1cc(nn1c1ccccc1)C

Complexity:

504

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

380.14g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

380.876g/mol

Monoisotopic Mass:

380.14g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3