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5-amino-1-(3,4-dichlorophenyl)pyrazole-4-carbonitrile

5-amino-1-(3,4-dichlorophenyl)pyrazole-4-carbonitrile

CAS: 58791-78-9

Formula: C10H6Cl2N4

SMILES: NC1=C(C=NN1C1=CC=C(Cl)C(Cl)=C1)C#N

IUPAC: 5-amino-1-(3,4-dichlorophenyl)-1H-pyrazole-4-carbonitrile

InChI: InChI=1S/C10H6Cl2N4/c11-8-2-1-7(3-9(8)12)16-10(14)6(4-13)5-15-16/h1-3,5H,14H2

Composition: C (47.46%), H (2.39%), Cl (28.01%), N (22.14%)

Molar Mass: 253.09

Atom Count: 22

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 251.9969516
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LIBPJAAKKFAEAT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.7
Topological Polar Surface Area 67.63
Polarizability 24.17
Ring Count 2
Rotatable Bond Count 1

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