4-chloro-2-[(3R)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol

C21H16Cl2N2O — CID 135591660

IUPAC4-chloro-2-[(3R)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol
SMILESOc1ccc(Cl)cc1C1=NN(c2ccccc2)[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H16Cl2N2O/c22-15-8-6-14(7-9-15)20-13-19(18-12-16(23)10-11-21(18)26)24-25(20)17-4-2-1-3-5-17/h1-12,20,26H,13H2/t20-/m1/s1
InChIKeyZWDHVCLAPIPKIO-HXUWFJFHSA-N
MW383.28 g/mol
LogP6.05
Rot. Bonds3

About 4-chloro-2-[(3R)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol

4-chloro-2-[(3R)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol (PubChem CID 135591660) has the molecular formula C21H16Cl2N2O and a molecular weight of 383.28 g/mol. Its IUPAC name is 4-chloro-2-[(3R)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(3R)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol
PubChem CID135591660
Molecular FormulaC21H16Cl2N2O
Molecular Weight383.28 g/mol
Exact Mass382.06
IUPAC Name4-chloro-2-[(3R)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol
SMILESOc1ccc(Cl)cc1C1=NN(c2ccccc2)[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H16Cl2N2O/c22-15-8-6-14(7-9-15)20-13-19(18-12-16(23)10-11-21(18)26)24-25(20)17-4-2-1-3-5-17/h1-12,20,26H,13H2/t20-/m1/s1
InChIKeyZWDHVCLAPIPKIO-HXUWFJFHSA-N
XLogP6.05
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.28
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-bromophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 136732265
2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol
CID 135772224
(3S)-3-(4-chlorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole
CID 102160984
5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 46185758
(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
4-chloro-2-[[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]phenol
CID 5010578
(3R)-5-(4-bromophenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7277369
(3S)-5-(2-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole
CID 101464946
N-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide
CID 40539104
2-[3-(2-bromophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 136732263
(3S)-5-(4-benzylphenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7392937
(3R)-2-(4-chlorophenyl)-5-(2-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7453212

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3R)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol?
The IUPAC name of 4-chloro-2-[(3R)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol (CID 135591660) is 4-chloro-2-[(3R)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol.
What is the SMILES notation for 4-chloro-2-[(3R)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol?
The canonical SMILES for 4-chloro-2-[(3R)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol is Oc1ccc(Cl)cc1C1=NN(c2ccccc2)[C@@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of 4-chloro-2-[(3R)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol?
The InChIKey is ZWDHVCLAPIPKIO-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H16Cl2N2O/c22-15-8-6-14(7-9-15)20-13-19(18-12-16(23)10-11-21(18)26)24-25(20)17-4-2-1-3-5-17/h1-12,20,26H,13H2/t20-/m1/s1.
What are the key properties of 4-chloro-2-[(3R)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol?
4-chloro-2-[(3R)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol has a molecular weight of 383.28 g/mol, XLogP of 6.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3R)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol is sourced from PubChem (CID 135591660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).