2-[4-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol

C22H16Cl2N2O — CID 135468066

IUPAC2-[4-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol
SMILESOc1ccccc1-c1[nH]nc(-c2ccccc2)c1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H16Cl2N2O/c23-16-11-10-15(19(24)13-16)12-18-21(14-6-2-1-3-7-14)25-26-22(18)17-8-4-5-9-20(17)27/h1-11,13,27H,12H2,(H,25,26)
InChIKeyMPGGHEIQILZKKD-UHFFFAOYSA-N
MW395.29 g/mol
LogP6.35
Rot. Bonds4

About 2-[4-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol

2-[4-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol (PubChem CID 135468066) has the molecular formula C22H16Cl2N2O and a molecular weight of 395.29 g/mol. Its IUPAC name is 2-[4-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[4-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol
PubChem CID135468066
Molecular FormulaC22H16Cl2N2O
Molecular Weight395.29 g/mol
Exact Mass394.06
IUPAC Name2-[4-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol
SMILESOc1ccccc1-c1[nH]nc(-c2ccccc2)c1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H16Cl2N2O/c23-16-11-10-15(19(24)13-16)12-18-21(14-6-2-1-3-7-14)25-26-22(18)17-8-4-5-9-20(17)27/h1-11,13,27H,12H2,(H,25,26)
InChIKeyMPGGHEIQILZKKD-UHFFFAOYSA-N
XLogP6.35
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.29
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol
CID 699643
4-chloro-2-(5-phenyl-1H-pyrazol-3-yl)phenol
CID 781244
4-(4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl)benzene-1,3-diol
CID 662991
2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-5-methylphenol
CID 698916
2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]phenol
CID 781212
4-chloro-2-(5-(4-fluorophenyl)-1H-pyrazol-3-yl)phenol
CID 685418
4-Chloro-2-[5-(2-chloro-phenyl)-1H-pyrazol-3-yl]-phenol
CID 685709
2-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]phenol
CID 136086764
2-{5-[4-(Tert-butyl)phenyl]pyrazol-3-yl}-4-chlorophenol
CID 776016
4-Chloro-2-[5-(4-methylphenyl)-1H-pyrazol-3-YL]phenol
CID 759756
4-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol
CID 1398319
4-Chloro-2-(3-methyl-1H-pyrazol-5-YL)phenol
CID 135452056

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol?
The IUPAC name of 2-[4-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol (CID 135468066) is 2-[4-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 2-[4-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 2-[4-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol is Oc1ccccc1-c1[nH]nc(-c2ccccc2)c1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[4-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol?
The InChIKey is MPGGHEIQILZKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O/c23-16-11-10-15(19(24)13-16)12-18-21(14-6-2-1-3-7-14)25-26-22(18)17-8-4-5-9-20(17)27/h1-11,13,27H,12H2,(H,25,26).
What are the key properties of 2-[4-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol?
2-[4-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol has a molecular weight of 395.29 g/mol, XLogP of 6.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 135468066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).