COC1=CC=C(C=C1)CN2C=C(C(=N2)C(=O)NC3=CC=CC=C3)I
CAS: 844443-88-5
Name: 4-iodo-1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide
SMILES: COC1=CC=C(C=C1)CN2C=C(C(=N2)C(=O)NC3=CC=CC=C3)I

Molecular Processing

Molecular formula
C18H16IN3O2
Molecular weight
433.25
Exact mass
433.0287
XLogP
3.8
TPSA
56.15
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
101.44

Supplementary Information

InChIKey: NVAORLFCCVBVBC-UHFFFAOYSA-N
Synonyms
844443-88-5SCHEMBL957961NVAORLFCCVBVBC-UHFFFAOYSA-N1h-pyrazole-3-carboxamide,4-iodo-1-[(4-methoxyphenyl)methyl]-n-phenyl-4-iodo-1-(4-methoxy-benzyl)-1H-pyrazole-3-carboxylic acid phenylamide
View source →
Involved in 16 reactions→

Extended Search

Substructure Search→Similarity Search→