5-(2,4-dichlorophenyl)-3-methyl-1-phenylpyrazole

C16H12Cl2N2 — CID 139225206

IUPAC5-(2,4-dichlorophenyl)-3-methyl-1-phenylpyrazole
SMILESCc1cc(-c2ccc(Cl)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C16H12Cl2N2/c1-11-9-16(14-8-7-12(17)10-15(14)18)20(19-11)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyUDRMWKCPEDPLAU-UHFFFAOYSA-N
MW303.19 g/mol
LogP5.15
Rot. Bonds2

About 5-(2,4-dichlorophenyl)-3-methyl-1-phenylpyrazole

5-(2,4-dichlorophenyl)-3-methyl-1-phenylpyrazole (PubChem CID 139225206) has the molecular formula C16H12Cl2N2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3-methyl-1-phenylpyrazole.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3-methyl-1-phenylpyrazole
PubChem CID139225206
Molecular FormulaC16H12Cl2N2
Molecular Weight303.19 g/mol
Exact Mass302.04
IUPAC Name5-(2,4-dichlorophenyl)-3-methyl-1-phenylpyrazole
SMILESCc1cc(-c2ccc(Cl)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C16H12Cl2N2/c1-11-9-16(14-8-7-12(17)10-15(14)18)20(19-11)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyUDRMWKCPEDPLAU-UHFFFAOYSA-N
XLogP5.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.19
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole
CID 4255927
2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-1-ol
CID 135465505
2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-1H-pyrazol-3-one
CID 2764927
5-chloro-3-methyl-1-phenylpyrazole
CID 2735771
N-(2,4-dichlorophenyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
CID 4862246
6-(2,4-dichlorophenyl)-1-(4-methylsulfanylphenyl)-4-oxopyridazine-3-carboxylic acid
CID 66875399
3-tert-butyl-5-(2-chlorophenyl)-1-phenylpyrazole
CID 58688948
1-(4-chlorophenyl)-5-(furan-2-yl)-3-methylpyrazole
CID 126681545
4-(3-methyl-5-phenylpyrazol-1-yl)pyridine
CID 12069784
5-chloro-3-methyl-1-phenylpyrazole;formyl chloride
CID 175273197
N-[(4-chlorophenyl)methyl]-5-methyl-2-phenylpyrazol-3-amine
CID 169018051
2,4-dichloro-1-phenylbenzene;methane;dihydrochloride
CID 175257985

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-3-methyl-1-phenylpyrazole?
The IUPAC name of 5-(2,4-dichlorophenyl)-3-methyl-1-phenylpyrazole (CID 139225206) is 5-(2,4-dichlorophenyl)-3-methyl-1-phenylpyrazole.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3-methyl-1-phenylpyrazole?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3-methyl-1-phenylpyrazole is Cc1cc(-c2ccc(Cl)cc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3-methyl-1-phenylpyrazole?
The InChIKey is UDRMWKCPEDPLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2/c1-11-9-16(14-8-7-12(17)10-15(14)18)20(19-11)13-5-3-2-4-6-13/h2-10H,1H3.
What are the key properties of 5-(2,4-dichlorophenyl)-3-methyl-1-phenylpyrazole?
5-(2,4-dichlorophenyl)-3-methyl-1-phenylpyrazole has a molecular weight of 303.19 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-3-methyl-1-phenylpyrazole is sourced from PubChem (CID 139225206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).