3,5-bis(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]pyrazole

C23H16Cl4N2 — CID 17025672

IUPAC3,5-bis(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]pyrazole
SMILESCc1ccc(Cn2nc(-c3ccc(Cl)c(Cl)c3)cc2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C23H16Cl4N2/c1-14-2-4-15(5-3-14)13-29-23(17-7-9-19(25)21(27)11-17)12-22(28-29)16-6-8-18(24)20(26)10-16/h2-12H,13H2,1H3
InChIKeyCTMCCEGPIBUERN-UHFFFAOYSA-N
MW462.21 g/mol
LogP8.19
Rot. Bonds4

About 3,5-bis(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]pyrazole

3,5-bis(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]pyrazole (PubChem CID 17025672) has the molecular formula C23H16Cl4N2 and a molecular weight of 462.21 g/mol. Its IUPAC name is 3,5-bis(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]pyrazole.

Molecular Properties

Compound Name3,5-bis(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]pyrazole
PubChem CID17025672
Molecular FormulaC23H16Cl4N2
Molecular Weight462.21 g/mol
Exact Mass460.01
IUPAC Name3,5-bis(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]pyrazole
SMILESCc1ccc(Cn2nc(-c3ccc(Cl)c(Cl)c3)cc2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C23H16Cl4N2/c1-14-2-4-15(5-3-14)13-29-23(17-7-9-19(25)21(27)11-17)12-22(28-29)16-6-8-18(24)20(26)10-16/h2-12H,13H2,1H3
InChIKeyCTMCCEGPIBUERN-UHFFFAOYSA-N
XLogP8.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.21
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-3,5-bis(3,4-dimethylphenyl)pyrazole
CID 19587425
3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid
CID 91871540
5-(3,4-dichlorophenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine
CID 3893027
1-[(3,4-dichlorophenyl)methyl]-3-methyl-5-[4-(trifluoromethyl)phenyl]pyrazole
CID 68745288
3-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]pyrazol-5-amine
CID 43471217
2-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7465665
4-[[5-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]methyl]-N-[2-(methyldiazenyl)-2-methyliminoethyl]benzamide
CID 67489725
1-benzyl-3-(1-benzyl-5-phenylpyrazol-3-yl)-5-phenylpyrazole
CID 84820888
1-benzyl-3,5-bis(4-fluorophenyl)pyrazole
CID 19587500
4-[[3-(2-amino-1,3-benzothiazol-6-yl)-5-(4-methylphenyl)pyrazol-1-yl]methyl]-N-hydroxybenzamide
CID 164522483
2-[(3,4-dichlorophenyl)methyl]-6-phenylpyridazin-3-one
CID 8698921
5-chloro-3,4-dimethyl-1-[(4-methylphenyl)methyl]pyrazole
CID 66023235

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]pyrazole?
The IUPAC name of 3,5-bis(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]pyrazole (CID 17025672) is 3,5-bis(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]pyrazole.
What is the SMILES notation for 3,5-bis(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]pyrazole?
The canonical SMILES for 3,5-bis(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]pyrazole is Cc1ccc(Cn2nc(-c3ccc(Cl)c(Cl)c3)cc2-c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3,5-bis(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]pyrazole?
The InChIKey is CTMCCEGPIBUERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl4N2/c1-14-2-4-15(5-3-14)13-29-23(17-7-9-19(25)21(27)11-17)12-22(28-29)16-6-8-18(24)20(26)10-16/h2-12H,13H2,1H3.
What are the key properties of 3,5-bis(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]pyrazole?
3,5-bis(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]pyrazole has a molecular weight of 462.21 g/mol, XLogP of 8.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]pyrazole is sourced from PubChem (CID 17025672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).