4-iodo-3,5-dimethyl-1H-pyrazole

4-iodo-3,5-dimethyl-1H-pyrazole

CAS: 2033-45-6

Formula: C5H7IN2

SMILES: CC1=C(I)C(C)=NN1

IUPAC: 4-iodo-3,5-dimethyl-1H-pyrazole

InChI: InChI=1S/C5H7IN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8)

Composition: C (27.05%), H (3.18%), I (57.16%), N (12.62%)

Molar Mass: 222.029

Atom Count: 15

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	221.96539
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	MZZXIXHKDJNBJQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.85
Topological Polar Surface Area	28.68
Polarizability	15.97
Ring Count	1
Rotatable Bond Count	0

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