4-bromo-3-methyl-1H-pyrazole

4-bromo-3-methyl-1H-pyrazole

CAS: 13808-64-5

Formula: C4H5BrN2

SMILES: CC1=NNC=C1Br

IUPAC: 4-bromo-3-methyl-1H-pyrazole

InChI: InChI=1S/C4H5BrN2/c1-3-4(5)2-6-7-3/h2H,1H3,(H,6,7)

Composition: C (29.84%), H (3.13%), Br (49.63%), N (17.40%)

Molar Mass: 161.002

Atom Count: 12

Heavy Atom Count: 7

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	159.963611
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	IXQPRETWBGVNPJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	31.96
Topological Polar Surface Area	28.68
Polarizability	11.87
Ring Count	1
Rotatable Bond Count	0

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