C1=CN(N=C1)C2=CC=C(C=C2)O
CAS: 16209-02-2
Name: 4-pyrazol-1-ylphenol
SMILES: C1=CN(N=C1)C2=CC=C(C=C2)O

Molecular Processing

Molecular formula
C9H8N2O
Molecular weight
160.18
Exact mass
160.0637
XLogP
1.58
TPSA
38.05
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
45.23

Supplementary Information

InChIKey: ZAWSQVRNWFGLQP-UHFFFAOYSA-N
Synonyme
4-(1H-pyrazol-1-yl)phenol16209-02-2DTXSID10499244RefChem:286796DTXCID30450054821-274-54-pyrazol-1-ylphenolPhenol, 4-(1H-pyrazol-1-yl)-4-Pyrazol-1-yl-phenol4-pyrazole-1-yl-phenol4-Pyrazole-1-vi-phenol1-p-hydroxyphenyl-pyrazole4-(pyrazol-1-yl)-phenolSCHEMBL598184SCHEMBL6650803ZAWSQVRNWFGLQP-UHFFFAOYSA-NRAA20902MFCD19982342AKOS013259651DA-09623CS-0217502EN300-75594G25411Z1182328284
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