4-ethynyl-1-tritylpyrazole

C24H18N2 — CID 118032517

IUPAC4-ethynyl-1-tritylpyrazole
SMILESC#Cc1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H18N2/c1-2-20-18-25-26(19-20)24(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h1,3-19H
InChIKeyALMGYIHPJQXFLI-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.70
Rot. Bonds4

About 4-ethynyl-1-tritylpyrazole

4-ethynyl-1-tritylpyrazole (PubChem CID 118032517) has the molecular formula C24H18N2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-ethynyl-1-tritylpyrazole.

Molecular Properties

Compound Name4-ethynyl-1-tritylpyrazole
PubChem CID118032517
Molecular FormulaC24H18N2
Molecular Weight334.42 g/mol
Exact Mass334.15
IUPAC Name4-ethynyl-1-tritylpyrazole
SMILESC#Cc1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H18N2/c1-2-20-18-25-26(19-20)24(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h1,3-19H
InChIKeyALMGYIHPJQXFLI-UHFFFAOYSA-N
XLogP4.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-[2-(1-tritylpyrazol-4-yl)ethynyl]pyridin-1-ium iodide
CID 56965329
4-iodo-1-tritylpyrazole
CID 15324479
1-methyl-3-[2-(1-tritylpyrazol-4-yl)ethynyl]pyridin-1-ium
CID 56965322
4-[2-(4-pentylphenyl)ethynyl]-1-tritylpyrazole
CID 86065978
4-phenyl-1H-pyrazole;4-phenyl-1-tritylpyrazole;hydrochloride
CID 158182364
4-thiophen-2-yl-1-tritylpyrazole
CID 101417607
(1-tritylpyrazol-4-yl) acetate
CID 174736849
4-ethynyl-1-(2-fluorophenyl)pyrazole
CID 138985352
(1,2-13C2)ethynylbenzene
CID 71309164
butyl-dimethyl-(1-tritylpyrazol-4-yl)oxysilane
CID 67601501
2-(4-ethynylpyrazol-1-yl)pyrimidine
CID 122241036
ethynylbenzene fluoride
CID 139243604

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-tritylpyrazole?
The IUPAC name of 4-ethynyl-1-tritylpyrazole (CID 118032517) is 4-ethynyl-1-tritylpyrazole.
What is the SMILES notation for 4-ethynyl-1-tritylpyrazole?
The canonical SMILES for 4-ethynyl-1-tritylpyrazole is C#Cc1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 4-ethynyl-1-tritylpyrazole?
The InChIKey is ALMGYIHPJQXFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2/c1-2-20-18-25-26(19-20)24(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h1,3-19H.
What are the key properties of 4-ethynyl-1-tritylpyrazole?
4-ethynyl-1-tritylpyrazole has a molecular weight of 334.42 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-tritylpyrazole is sourced from PubChem (CID 118032517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).