4-[5-(4-aminophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenol

C21H18ClN3O — CID 118095367

IUPAC4-[5-(4-aminophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenol
SMILESNc1ccc(C2=NN(c3ccc(Cl)cc3)C(c3ccc(O)cc3)C2)cc1
InChIInChI=1S/C21H18ClN3O/c22-16-5-9-18(10-6-16)25-21(15-3-11-19(26)12-4-15)13-20(24-25)14-1-7-17(23)8-2-14/h1-12,21,26H,13,23H2
InChIKeyJSORGUPHUSFWMM-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.98
Rot. Bonds3

About 4-[5-(4-aminophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenol

4-[5-(4-aminophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenol (PubChem CID 118095367) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is 4-[5-(4-aminophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-aminophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenol
PubChem CID118095367
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC Name4-[5-(4-aminophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenol
SMILESNc1ccc(C2=NN(c3ccc(Cl)cc3)C(c3ccc(O)cc3)C2)cc1
InChIInChI=1S/C21H18ClN3O/c22-16-5-9-18(10-6-16)25-21(15-3-11-19(26)12-4-15)13-20(24-25)14-1-7-17(23)8-2-14/h1-12,21,26H,13,23H2
InChIKeyJSORGUPHUSFWMM-UHFFFAOYSA-N
XLogP4.98
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-(3-Chlorophenyl)-3-(3-fluoro-4-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]benzene-1,3-diol
CID 136931814
4-[2-(3-Chlorophenyl)-5-(2-hydroxyphenyl)-4-methyl-3,4-dihydropyrazol-3-yl]-2-fluorophenol
CID 136931818
4-[2-(4-Chlorophenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-3-yl]benzene-1,2-diol
CID 136931819
2-[5-(4-fluorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 3716559
2-(1,5-diphenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 248317
4-[5-Tert-butyl-2-(3-chloro-4-fluorophenyl)-3,4-dihydropyrazol-3-yl]phenol
CID 118710711
4-[5-Tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]-2-chlorophenol
CID 118710722
2-[5-(3,4-Dichlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 127050124
(3S)-3-(4-chlorophenyl)-5-(2-hydroxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide
CID 136036631
4-[3-(3-Chlorophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 145981790
4-[2,3-Bis(3-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 145988891
4-[2-(3-Chlorophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 145989758

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-aminophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenol?
The IUPAC name of 4-[5-(4-aminophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenol (CID 118095367) is 4-[5-(4-aminophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(4-aminophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenol?
The canonical SMILES for 4-[5-(4-aminophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenol is Nc1ccc(C2=NN(c3ccc(Cl)cc3)C(c3ccc(O)cc3)C2)cc1.
What is the InChIKey of 4-[5-(4-aminophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenol?
The InChIKey is JSORGUPHUSFWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c22-16-5-9-18(10-6-16)25-21(15-3-11-19(26)12-4-15)13-20(24-25)14-1-7-17(23)8-2-14/h1-12,21,26H,13,23H2.
What are the key properties of 4-[5-(4-aminophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenol?
4-[5-(4-aminophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenol has a molecular weight of 363.85 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-aminophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenol is sourced from PubChem (CID 118095367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).