C1=CC=C(C=C1)NC(=O)C2=C(C=NN2)I
Name: 4-iodo-N-phenyl-1H-pyrazole-5-carboxamide
SMILES: C1=CC=C(C=C1)NC(=O)C2=C(C=NN2)I

Molecular Processing

Molecular formula
C10H8IN3O
Molecular weight
313.1
Exact mass
312.9712
XLogP
2.27
TPSA
57.78
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
65.7

Supplementary Information

InChIKey: VPEWOYZUHNLWPW-UHFFFAOYSA-N
Synonyme
SCHEMBL646345VPEWOYZUHNLWPW-UHFFFAOYSA-N4-iodo-1H-pyrazole-3-carboxylic acid phenylamide
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