3-(3-bromothiophen-2-yl)-5-methyl-1H-pyrazole

3-(3-bromothiophen-2-yl)-5-methyl-1H-pyrazole

CAS: 1025026-54-3

Formula: C8H7BrN2S

SMILES: CC1=CC(=NN1)C1=C(Br)C=CS1

IUPAC: 3-(3-bromothiophen-2-yl)-5-methyl-1H-pyrazole

InChI: InChI=1S/C8H7BrN2S/c1-5-4-7(11-10-5)8-6(9)2-3-12-8/h2-4H,1H3,(H,10,11)

Composition: C (39.52%), H (2.90%), Br (32.87%), N (11.52%), S (13.19%)

Molar Mass: 243.12

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	241.951332
Formal Charge	0
FSP3	0.12
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	SGPQHJVFILPYRV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.17
Topological Polar Surface Area	28.68
Polarizability	21.3
Ring Count	2
Rotatable Bond Count	1

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