3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole

3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole

CAS: 141791-06-2

Formula: C10H8N2O2

SMILES: C1OC2=C(O1)C=C(C=C2)C1=NNC=C1

IUPAC: 3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole

InChI: InChI=1S/C10H8N2O2/c1-2-9-10(14-6-13-9)5-7(1)8-3-4-11-12-8/h1-5H,6H2,(H,11,12)

Composition: C (63.83%), H (4.29%), N (14.89%), O (17.00%)

Molar Mass: 188.186

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	188.058577506
Formal Charge	0
FSP3	0.1
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LOPAFWMOCZGHFX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.28
Topological Polar Surface Area	47.14
Polarizability	20.54
Ring Count	3
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	141791-06-2		$51.35-$86.31$51.35$63.37$86.31