3-methyl-1-tritylpyrazole

C23H20N2 — CID 71182235

IUPAC3-methyl-1-tritylpyrazole
SMILESCc1ccn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C23H20N2/c1-19-17-18-25(24-19)23(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3
InChIKeyWKNFLQAMDKAVNU-UHFFFAOYSA-N
MW324.43 g/mol
LogP5.03
Rot. Bonds4

About 3-methyl-1-tritylpyrazole

3-methyl-1-tritylpyrazole (PubChem CID 71182235) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-methyl-1-tritylpyrazole.

Molecular Properties

Compound Name3-methyl-1-tritylpyrazole
PubChem CID71182235
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC Name3-methyl-1-tritylpyrazole
SMILESCc1ccn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C23H20N2/c1-19-17-18-25(24-19)23(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3
InChIKeyWKNFLQAMDKAVNU-UHFFFAOYSA-N
XLogP5.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.43
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-tritylpyrazole?
The IUPAC name of 3-methyl-1-tritylpyrazole (CID 71182235) is 3-methyl-1-tritylpyrazole.
What is the SMILES notation for 3-methyl-1-tritylpyrazole?
The canonical SMILES for 3-methyl-1-tritylpyrazole is Cc1ccn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 3-methyl-1-tritylpyrazole?
The InChIKey is WKNFLQAMDKAVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2/c1-19-17-18-25(24-19)23(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3.
What are the key properties of 3-methyl-1-tritylpyrazole?
3-methyl-1-tritylpyrazole has a molecular weight of 324.43 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-tritylpyrazole is sourced from PubChem (CID 71182235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).