5-(4-methylphenyl)-1,3-diphenylpyrazole

C22H18N2 — CID 14532338

IUPAC5-(4-methylphenyl)-1,3-diphenylpyrazole
SMILESCc1ccc(-c2cc(-c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2/c1-17-12-14-19(15-13-17)22-16-21(18-8-4-2-5-9-18)23-24(22)20-10-6-3-7-11-20/h2-16H,1H3
InChIKeyHBLZCAKQOWHDPU-UHFFFAOYSA-N
MW310.40 g/mol
LogP5.51
Rot. Bonds3

About 5-(4-methylphenyl)-1,3-diphenylpyrazole

5-(4-methylphenyl)-1,3-diphenylpyrazole (PubChem CID 14532338) has the molecular formula C22H18N2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1,3-diphenylpyrazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-1,3-diphenylpyrazole
PubChem CID14532338
Molecular FormulaC22H18N2
Molecular Weight310.40 g/mol
Exact Mass310.15
IUPAC Name5-(4-methylphenyl)-1,3-diphenylpyrazole
SMILESCc1ccc(-c2cc(-c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2/c1-17-12-14-19(15-13-17)22-16-21(18-8-4-2-5-9-18)23-24(22)20-10-6-3-7-11-20/h2-16H,1H3
InChIKeyHBLZCAKQOWHDPU-UHFFFAOYSA-N
XLogP5.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-1,3-diphenylpyrazole?
The IUPAC name of 5-(4-methylphenyl)-1,3-diphenylpyrazole (CID 14532338) is 5-(4-methylphenyl)-1,3-diphenylpyrazole.
What is the SMILES notation for 5-(4-methylphenyl)-1,3-diphenylpyrazole?
The canonical SMILES for 5-(4-methylphenyl)-1,3-diphenylpyrazole is Cc1ccc(-c2cc(-c3ccccc3)nn2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1,3-diphenylpyrazole?
The InChIKey is HBLZCAKQOWHDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2/c1-17-12-14-19(15-13-17)22-16-21(18-8-4-2-5-9-18)23-24(22)20-10-6-3-7-11-20/h2-16H,1H3.
What are the key properties of 5-(4-methylphenyl)-1,3-diphenylpyrazole?
5-(4-methylphenyl)-1,3-diphenylpyrazole has a molecular weight of 310.40 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-1,3-diphenylpyrazole is sourced from PubChem (CID 14532338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).