Zanubrutinib Impurity 10

CAT: 1596-AR-Z01236-01Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-Z01236-01Size:100 Units

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CAS Number

330792-70-6

Synonyms

3-Amino-5- (4-phenoxyphenyl) -1H-pyrazole-4-carbonitrile

Molecular Formula

C16H12N4O

Molecular Weight

276.30

API Name

Zanubrutinib

Chemical Information

3-amino-5-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile

CAS Number	330792-70-6
PubChem CID	22346784
IUPAC Name	3-amino-5-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile
Molecular Formula	C16H12N4O
Molecular Weight	276.29
XLogP	3.3
Topological Polar Surface Area	87.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	379

SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C(C(=NN3)N)C#N

InChI

InChI=1S/C16H12N4O/c17-10-14-15(19-20-16(14)18)11-6-8-13(9-7-11)21-12-4-2-1-3-5-12/h1-9H,(H3,18,19,20)

InChIKey

HNIMEQCLCNSCGH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 330792-70-6

CID: 22346784

Formula: C16H12N4O

MW: 276.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	276.29
XLogP3	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	276.10111102
Monoisotopic Mass	276.10111102
Topological Polar Surface Area	87.7 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	379
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-Z01291-01	Zanubrutinib Impurity 5
AR-Z01289-01	Zanubrutinib Impurity 3
AR-Z01290-01	Zanubrutinib Impurity 4
AR-Z01284-01	Zanubrutinib Impurity 1
AR-Z01281-01	Zanubrutinib Impurity 2
AR-Z01288-01	N2-Nitroso Zanubrutinib Impurity 1
AR-Z01286-01	N1-Nitroso Zanubrutinib Impurity 1
AR-Z01230-01	Zanubrutinib
AR-Z01231-01	Zanubrutinib d5
AR-Z01283-01	Zanubrutinib-d5

Catalog	Name
CS-O-56847	Zanubrutinib Dimer impurity
RM-Z011413-01	Zanubrutinib Impurity 13
RM-Z011412-01	Zanubrutinib Impurity 12
CS-EO-03112	Chloropropanoyl Zanubrutinib Impurity
CS-O-62232	Zanubrutinib Impurity 1
CS-EO-03114	Zanubrutinib Desacryloyl impurity
RM-Z011410-01	Zanubrutinib Impurity 10
RM-Z011408-01	Zanubrutinib Impurity 8
RM-Z011409-01	Zanubrutinib Impurity 9
RM-Z011407-01	Zanubrutinib Impurity 7