Name: 5-chloro-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide

SMILES: COC1=CC(=CC(=C1)CCC2=CC(=NN2)NC(=O)C3=CN=C(C=N3)Cl)OC

Molecular Processing

Molecular formula

C18H18ClN5O3

Molecular weight

387.83

Exact mass

387.1098

XLogP

2.91

TPSA

102.02

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.222

Molar refractivity

100.54

Supplementary Information

InChIKey: VWRJDBHIBGLPIC-UHFFFAOYSA-N

Synonyme

SCHEMBL62886VWRJDBHIBGLPIC-UHFFFAOYSA-N5-chloro-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-yl]pyrazine-2-carboxamide