1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]ethanol

C18H16Cl2N2O2 — CID 50908376

IUPAC1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]ethanol
SMILESOCc1cc(-c2ccc(Cl)cc2)nn1CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C18H16Cl2N2O2/c19-14-5-1-12(2-6-14)17-9-16(11-23)22(21-17)10-18(24)13-3-7-15(20)8-4-13/h1-9,18,23-24H,10-11H2
InChIKeyPAXJAGQRVCVAMH-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.08
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]ethanol

1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]ethanol (PubChem CID 50908376) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]ethanol
PubChem CID50908376
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Name1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]ethanol
SMILESOCc1cc(-c2ccc(Cl)cc2)nn1CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C18H16Cl2N2O2/c19-14-5-1-12(2-6-14)17-9-16(11-23)22(21-17)10-18(24)13-3-7-15(20)8-4-13/h1-9,18,23-24H,10-11H2
InChIKeyPAXJAGQRVCVAMH-UHFFFAOYSA-N
XLogP4.08
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2-cyclohexylethanol
CID 71654047
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-(4-methylphenyl)ethan-1-ol
CID 3511640
1-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-3-buten-1-ol
CID 3560876
(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)(4-chlorophenyl)methanol
CID 5180935
3-[5-(4-Chlorophenyl)-1-phenylpyrazol-3-yl]propan-1-ol
CID 14497415
1-(4-Chlorophenyl)-2-[5-(hydroxymethyl)-3-phenylpyrazol-1-yl]ethanol
CID 50908375
1-(4-Chlorophenyl)-2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]ethanol
CID 50908377
3-(4-Chlorophenyl)-1-phenyl-1H-pyrazole-4-methanol
CID 740178
[1-(4-chlorobenzyl)-1H-indazol-3-yl]methanol
CID 12312254
2-[(5-Chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-1-(3-fluorophenyl)ethanol;hydrochloride
CID 53538717
US10202350, Example 7
CID 124129040
US10202350, Example 3
CID 124129052

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]ethanol (CID 50908376) is 1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]ethanol is OCc1cc(-c2ccc(Cl)cc2)nn1CC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]ethanol?
The InChIKey is PAXJAGQRVCVAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c19-14-5-1-12(2-6-14)17-9-16(11-23)22(21-17)10-18(24)13-3-7-15(20)8-4-13/h1-9,18,23-24H,10-11H2.
What are the key properties of 1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]ethanol?
1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]ethanol has a molecular weight of 363.24 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 50908376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).