3-(4-chlorophenyl)-5-(4-methylphenyl)-1H-pyrazole

C16H13ClN2 — CID 11737273

IUPAC3-(4-chlorophenyl)-5-(4-methylphenyl)-1H-pyrazole
SMILESCc1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1
InChIInChI=1S/C16H13ClN2/c1-11-2-4-12(5-3-11)15-10-16(19-18-15)13-6-8-14(17)9-7-13/h2-10H,1H3,(H,18,19)
InChIKeyGRFYWAXTYZYSKS-UHFFFAOYSA-N
MW268.75 g/mol
LogP4.71
Rot. Bonds2

About 3-(4-chlorophenyl)-5-(4-methylphenyl)-1H-pyrazole

3-(4-chlorophenyl)-5-(4-methylphenyl)-1H-pyrazole (PubChem CID 11737273) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(4-methylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(4-methylphenyl)-1H-pyrazole
PubChem CID11737273
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name3-(4-chlorophenyl)-5-(4-methylphenyl)-1H-pyrazole
SMILESCc1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1
InChIInChI=1S/C16H13ClN2/c1-11-2-4-12(5-3-11)15-10-16(19-18-15)13-6-8-14(17)9-7-13/h2-10H,1H3,(H,18,19)
InChIKeyGRFYWAXTYZYSKS-UHFFFAOYSA-N
XLogP4.71
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(4-methylphenyl)-1H-pyrazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(4-methylphenyl)-1H-pyrazole (CID 11737273) is 3-(4-chlorophenyl)-5-(4-methylphenyl)-1H-pyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(4-methylphenyl)-1H-pyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(4-methylphenyl)-1H-pyrazole is Cc1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(4-methylphenyl)-1H-pyrazole?
The InChIKey is GRFYWAXTYZYSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c1-11-2-4-12(5-3-11)15-10-16(19-18-15)13-6-8-14(17)9-7-13/h2-10H,1H3,(H,18,19).
What are the key properties of 3-(4-chlorophenyl)-5-(4-methylphenyl)-1H-pyrazole?
3-(4-chlorophenyl)-5-(4-methylphenyl)-1H-pyrazole has a molecular weight of 268.75 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(4-methylphenyl)-1H-pyrazole is sourced from PubChem (CID 11737273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).