3-methoxy-5-methyl-4-nitro-1H-pyrazole

3-methoxy-5-methyl-4-nitro-1H-pyrazole

CAS: 173682-19-4

Formula: C5H7N3O3

SMILES: COC1=NNC(C)=C1[N+]([O-])=O

IUPAC: 3-methoxy-5-methyl-4-nitro-1H-pyrazole

InChI: InChI=1S/C5H7N3O3/c1-3-4(8(9)10)5(11-2)7-6-3/h1-2H3,(H,6,7)

Composition: C (38.22%), H (4.49%), N (26.74%), O (30.55%)

Molar Mass: 157.129

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	157.048741097
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VYRLODCUXGZERL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.99
Topological Polar Surface Area	81.05
Polarizability	13.48
Ring Count	1
Rotatable Bond Count	2

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