[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methanol

C16H12Cl2N2O — CID 123876865

IUPAC[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methanol
SMILESOCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H12Cl2N2O/c17-12-3-1-11(2-4-12)16-9-14(10-21)19-20(16)15-7-5-13(18)6-8-15/h1-9,21H,10H2
InChIKeyYZHNFAKSYQOXBK-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.34
Rot. Bonds3

About [1,5-bis(4-chlorophenyl)pyrazol-3-yl]methanol

[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methanol (PubChem CID 123876865) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is [1,5-bis(4-chlorophenyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methanol
PubChem CID123876865
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methanol
SMILESOCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H12Cl2N2O/c17-12-3-1-11(2-4-12)16-9-14(10-21)19-20(16)15-7-5-13(18)6-8-15/h1-9,21H,10H2
InChIKeyYZHNFAKSYQOXBK-UHFFFAOYSA-N
XLogP4.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-bis(4-chlorophenyl)-1H-pyrazole-3-carboxylic acid
CID 1477238
4-(5-(4-chlorophenyl)-3-hydroxymethyl-1H-pyrazol-1-yl]benzenesulfonamide
CID 9947165
4-[4-Chloro-5-(4-chloro-phenyl)-3-hydroxymethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10644539
1-[12-Chloro-3-(2,4-dichlorophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-5-yl]-2-cyclohexylethanol
CID 59450184
5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-3-(4-fluoro-benzyloxymethyl)-4-methyl-1H-pyrazole
CID 9912830
5-(4-Chloro-phenyl)-3-cyclohexylmethoxymethyl-1-(2,4-dichloro-phenyl)-4-methyl-1H-pyrazole
CID 10115722
1-[5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-2-cyclohexylethanol
CID 71654047
(3-(2,4-Dichlorophenyl)-1-phenyl-1H-pyrazol-4-YL)methanol
CID 3840469
1,3-Bis(4-chlorophenyl)-1H-pyrazole-4-methanol
CID 3525246
(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

Frequently Asked Questions

What is the IUPAC name of [1,5-bis(4-chlorophenyl)pyrazol-3-yl]methanol?
The IUPAC name of [1,5-bis(4-chlorophenyl)pyrazol-3-yl]methanol (CID 123876865) is [1,5-bis(4-chlorophenyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [1,5-bis(4-chlorophenyl)pyrazol-3-yl]methanol?
The canonical SMILES for [1,5-bis(4-chlorophenyl)pyrazol-3-yl]methanol is OCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of [1,5-bis(4-chlorophenyl)pyrazol-3-yl]methanol?
The InChIKey is YZHNFAKSYQOXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c17-12-3-1-11(2-4-12)16-9-14(10-21)19-20(16)15-7-5-13(18)6-8-15/h1-9,21H,10H2.
What are the key properties of [1,5-bis(4-chlorophenyl)pyrazol-3-yl]methanol?
[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methanol has a molecular weight of 319.19 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,5-bis(4-chlorophenyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 123876865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).