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

C18H14Cl2F2N2O — CID 175278176

IUPAC1-[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol
SMILESCc1[nH]nc(-c2ccc(Cl)cc2Cl)c1C(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C18H14Cl2F2N2O/c1-9-16(18(2,25)13-6-4-11(21)8-15(13)22)17(24-23-9)12-5-3-10(19)7-14(12)20/h3-8,25H,1-2H3,(H,23,24)
InChIKeyWHTIOJXHQXHNRV-UHFFFAOYSA-N
MW383.23 g/mol
LogP5.23
Rot. Bonds3

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

1-[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol (PubChem CID 175278176) has the molecular formula C18H14Cl2F2N2O and a molecular weight of 383.23 g/mol. Its IUPAC name is 1-[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol
PubChem CID175278176
Molecular FormulaC18H14Cl2F2N2O
Molecular Weight383.23 g/mol
Exact Mass382.05
IUPAC Name1-[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol
SMILESCc1[nH]nc(-c2ccc(Cl)cc2Cl)c1C(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C18H14Cl2F2N2O/c1-9-16(18(2,25)13-6-4-11(21)8-15(13)22)17(24-23-9)12-5-3-10(19)7-14(12)20/h3-8,25H,1-2H3,(H,23,24)
InChIKeyWHTIOJXHQXHNRV-UHFFFAOYSA-N
XLogP5.23
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.23
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

alpha,alpha-Bis(4-chlorophenyl)-1H-pyrazole-3-methanol
CID 13672683
2-[4-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol
CID 135468066
[4-(4-chlorophenyl)-1H-pyrazol-5-yl](4-fluorophenyl)phenylmethanol
CID 56689253
(Z)-[(2,4-dichlorophenyl)methoxy]({[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene})amine
CID 135777578
3-amino-1-(4-chlorophenyl)-1-[4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]propan-1-ol
CID 15603599
[3-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl]methanol
CID 59694381
3-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methyl]-4-methyl-1H-pyrazole
CID 59694405
[5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol
CID 118484799
4-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 136445097
2-[4-(3-chloro-2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]ethanol
CID 151802495
2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-fluorophenol
CID 155106353
[3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
CID 170168094

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol?
The IUPAC name of 1-[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol (CID 175278176) is 1-[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 1-[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 1-[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol is Cc1[nH]nc(-c2ccc(Cl)cc2Cl)c1C(C)(O)c1ccc(F)cc1F.
What is the InChIKey of 1-[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol?
The InChIKey is WHTIOJXHQXHNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2F2N2O/c1-9-16(18(2,25)13-6-4-11(21)8-15(13)22)17(24-23-9)12-5-3-10(19)7-14(12)20/h3-8,25H,1-2H3,(H,23,24).
What are the key properties of 1-[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol?
1-[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol has a molecular weight of 383.23 g/mol, XLogP of 5.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 175278176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).