5-nitro-1-(propan-2-yl)-3-(trifluoromethyl)-1H-pyrazole

5-nitro-1-(propan-2-yl)-3-(trifluoromethyl)-1H-pyrazole

CAS: 1172880-74-8

Formula: C7H8F3N3O2

SMILES: CC(C)N1N=C(C=C1[N+]([O-])=O)C(F)(F)F

IUPAC: 5-nitro-1-(propan-2-yl)-3-(trifluoromethyl)-1H-pyrazole

InChI: InChI=1S/C7H8F3N3O2/c1-4(2)12-6(13(14)15)3-5(11-12)7(8,9)10/h3-4H,1-2H3

Composition: C (37.68%), H (3.61%), F (25.54%), N (18.83%), O (14.34%)

Molar Mass: 223.155

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	223.056860999
Formal Charge	0
FSP3	0.57
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	JCHANBCMOSJAAR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.3
Topological Polar Surface Area	60.96
Polarizability	16.05
Ring Count	1
Rotatable Bond Count	3

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