1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole

C16H13ClN2 — CID 4255927

IUPAC1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole
SMILESCc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H13ClN2/c1-12-11-16(13-5-3-2-4-6-13)19(18-12)15-9-7-14(17)8-10-15/h2-11H,1H3
InChIKeyWYDINWZOIUBJAX-UHFFFAOYSA-N
MW268.75 g/mol
LogP4.50
Rot. Bonds2

About 1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole

1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole (PubChem CID 4255927) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole
PubChem CID4255927
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole
SMILESCc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H13ClN2/c1-12-11-16(13-5-3-2-4-6-13)19(18-12)15-9-7-14(17)8-10-15/h2-11H,1H3
InChIKeyWYDINWZOIUBJAX-UHFFFAOYSA-N
XLogP4.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole?
The IUPAC name of 1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole (CID 4255927) is 1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole?
The canonical SMILES for 1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole is Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole?
The InChIKey is WYDINWZOIUBJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c1-12-11-16(13-5-3-2-4-6-13)19(18-12)15-9-7-14(17)8-10-15/h2-11H,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole?
1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole has a molecular weight of 268.75 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole is sourced from PubChem (CID 4255927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).