3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole

C16H13ClN2 — CID 23524520

IUPAC3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole
SMILESCc1ccc(-n2ccc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C16H13ClN2/c1-12-2-8-15(9-3-12)19-11-10-16(18-19)13-4-6-14(17)7-5-13/h2-11H,1H3
InChIKeyLUGBCRUVRPNGSM-UHFFFAOYSA-N
MW268.75 g/mol
LogP4.50
Rot. Bonds2

About 3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole

3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole (PubChem CID 23524520) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole
PubChem CID23524520
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole
SMILESCc1ccc(-n2ccc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C16H13ClN2/c1-12-2-8-15(9-3-12)19-11-10-16(18-19)13-4-6-14(17)7-5-13/h2-11H,1H3
InChIKeyLUGBCRUVRPNGSM-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 3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole?
The IUPAC name of 3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole (CID 23524520) is 3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole is Cc1ccc(-n2ccc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole?
The InChIKey is LUGBCRUVRPNGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c1-12-2-8-15(9-3-12)19-11-10-16(18-19)13-4-6-14(17)7-5-13/h2-11H,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole?
3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole 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 3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole is sourced from PubChem (CID 23524520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).