C1CNC2=C(C(=NN2C1C3=CC=CC=C3N)C4=CC=C(C=C4)O)C#N
이름: 7-(2-aminophenyl)-2-(4-hydroxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILES: C1CNC2=C(C(=NN2C1C3=CC=CC=C3N)C4=CC=C(C=C4)O)C#N

Molecular Processing

Molecular formula
C19H17N5O
Molecular weight
331.38
Exact mass
331.1433
XLogP
3.11
TPSA
99.89
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
96.14

Supplementary Information

InChIKey: KIFDEILQMGMYSP-UHFFFAOYSA-N
동의어
SCHEMBL16197141SCHEMBL31126053KIFDEILQMGMYSP-UHFFFAOYSA-N7-(2-aminophenyl)-2-(4-hydroxyphenyl)-4,5,6,7-tetrahydro pyrazolo[1,5-a]pyrimidine-3-carbonitrile7-(2-aminophenyl)-2-(4-hydroxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
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