1-methyl-3,4,5-triphenylpyrazole

C22H18N2 — CID 12917132

IUPAC1-methyl-3,4,5-triphenylpyrazole
SMILESCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H18N2/c1-24-22(19-15-9-4-10-16-19)20(17-11-5-2-6-12-17)21(23-24)18-13-7-3-8-14-18/h2-16H,1H3
InChIKeyGYWFEKDLCYRHPQ-UHFFFAOYSA-N
MW310.40 g/mol
LogP5.42
Rot. Bonds3

About 1-methyl-3,4,5-triphenylpyrazole

1-methyl-3,4,5-triphenylpyrazole (PubChem CID 12917132) has the molecular formula C22H18N2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-methyl-3,4,5-triphenylpyrazole.

Molecular Properties

Compound Name1-methyl-3,4,5-triphenylpyrazole
PubChem CID12917132
Molecular FormulaC22H18N2
Molecular Weight310.40 g/mol
Exact Mass310.15
IUPAC Name1-methyl-3,4,5-triphenylpyrazole
SMILESCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H18N2/c1-24-22(19-15-9-4-10-16-19)20(17-11-5-2-6-12-17)21(23-24)18-13-7-3-8-14-18/h2-16H,1H3
InChIKeyGYWFEKDLCYRHPQ-UHFFFAOYSA-N
XLogP5.42
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 ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4,5-triphenylpyrazole?
The IUPAC name of 1-methyl-3,4,5-triphenylpyrazole (CID 12917132) is 1-methyl-3,4,5-triphenylpyrazole.
What is the SMILES notation for 1-methyl-3,4,5-triphenylpyrazole?
The canonical SMILES for 1-methyl-3,4,5-triphenylpyrazole is Cn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-methyl-3,4,5-triphenylpyrazole?
The InChIKey is GYWFEKDLCYRHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2/c1-24-22(19-15-9-4-10-16-19)20(17-11-5-2-6-12-17)21(23-24)18-13-7-3-8-14-18/h2-16H,1H3.
What are the key properties of 1-methyl-3,4,5-triphenylpyrazole?
1-methyl-3,4,5-triphenylpyrazole has a molecular weight of 310.40 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4,5-triphenylpyrazole is sourced from PubChem (CID 12917132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).