(1-tritylpyrazol-4-yl) acetate

C24H20N2O2 — CID 174736849

IUPAC(1-tritylpyrazol-4-yl) acetate
SMILESCC(=O)Oc1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H20N2O2/c1-19(27)28-23-17-25-26(18-23)24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3
InChIKeyVJAAJGIMHUTBKS-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.65
Rot. Bonds5

About (1-tritylpyrazol-4-yl) acetate

(1-tritylpyrazol-4-yl) acetate (PubChem CID 174736849) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is (1-tritylpyrazol-4-yl) acetate.

Molecular Properties

Compound Name(1-tritylpyrazol-4-yl) acetate
PubChem CID174736849
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name(1-tritylpyrazol-4-yl) acetate
SMILESCC(=O)Oc1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H20N2O2/c1-19(27)28-23-17-25-26(18-23)24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3
InChIKeyVJAAJGIMHUTBKS-UHFFFAOYSA-N
XLogP4.65
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-1-tritylpyrazole
CID 15324479
butyl-dimethyl-(1-tritylpyrazol-4-yl)oxysilane
CID 67601501
phenyl acetate;hydroiodide
CID 172788123
4-ethynyl-1-tritylpyrazole
CID 118032517
(1-phenylpyrrol-3-yl) acetate
CID 174955696
sodium;hydride;phenyl acetate
CID 159991718
lithium;hydride;phenyl acetate
CID 173276859
phenoxybenzene;phenyl acetate
CID 159251324
diphenyl carbonate;phenyl acetate
CID 90936233
(1-tert-butylpyrazol-4-yl) N,N-dimethylcarbamate
CID 13206777
[4-(1,2-dihydroxy-1-phenylethyl)phenyl] acetate
CID 67748642
[4-[1-(4-methylphenyl)-1-phenylethyl]phenyl] acetate
CID 59408587

Frequently Asked Questions

What is the IUPAC name of (1-tritylpyrazol-4-yl) acetate?
The IUPAC name of (1-tritylpyrazol-4-yl) acetate (CID 174736849) is (1-tritylpyrazol-4-yl) acetate.
What is the SMILES notation for (1-tritylpyrazol-4-yl) acetate?
The canonical SMILES for (1-tritylpyrazol-4-yl) acetate is CC(=O)Oc1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (1-tritylpyrazol-4-yl) acetate?
The InChIKey is VJAAJGIMHUTBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-19(27)28-23-17-25-26(18-23)24(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 (1-tritylpyrazol-4-yl) acetate?
(1-tritylpyrazol-4-yl) acetate has a molecular weight of 368.44 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tritylpyrazol-4-yl) acetate is sourced from PubChem (CID 174736849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).