2,4-dichloro-6-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol

C15H11Cl3N2O — CID 135597142

IUPAC2,4-dichloro-6-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESOc1c(Cl)cc(Cl)cc1C1=NN[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H11Cl3N2O/c16-9-3-1-8(2-4-9)13-7-14(20-19-13)11-5-10(17)6-12(18)15(11)21/h1-6,13,19,21H,7H2/t13-/m1/s1
InChIKeyGAPRSYVKBMTILY-CYBMUJFWSA-N
MW341.63 g/mol
LogP4.79
Rot. Bonds2

About 2,4-dichloro-6-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol

2,4-dichloro-6-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol (PubChem CID 135597142) has the molecular formula C15H11Cl3N2O and a molecular weight of 341.63 g/mol. Its IUPAC name is 2,4-dichloro-6-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
PubChem CID135597142
Molecular FormulaC15H11Cl3N2O
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name2,4-dichloro-6-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESOc1c(Cl)cc(Cl)cc1C1=NN[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H11Cl3N2O/c16-9-3-1-8(2-4-9)13-7-14(20-19-13)11-5-10(17)6-12(18)15(11)21/h1-6,13,19,21H,7H2/t13-/m1/s1
InChIKeyGAPRSYVKBMTILY-CYBMUJFWSA-N
XLogP4.79
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.63
LogP ≤ 54.79
H-Bond Donors ≤ 52
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-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135900294
2-[(5S)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol
CID 136670257
6-[3-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoxaline
CID 176900311
4-chloro-2-(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 3811786
3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
CID 15628692
2-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-nitrophenolate
CID 6945530
2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 3830634
1-(4-chlorophenyl)-5-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxypyrimidine-2,4-dione
CID 135880735
2-[(5S)-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135674916
8-[(5S)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-9-hydroxy-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 135952399
4-methyl-2-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135602935
2-[5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135604582

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The IUPAC name of 2,4-dichloro-6-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol (CID 135597142) is 2,4-dichloro-6-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol is Oc1c(Cl)cc(Cl)cc1C1=NN[C@@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of 2,4-dichloro-6-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The InChIKey is GAPRSYVKBMTILY-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H11Cl3N2O/c16-9-3-1-8(2-4-9)13-7-14(20-19-13)11-5-10(17)6-12(18)15(11)21/h1-6,13,19,21H,7H2/t13-/m1/s1.
What are the key properties of 2,4-dichloro-6-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
2,4-dichloro-6-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol has a molecular weight of 341.63 g/mol, XLogP of 4.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 135597142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).