[5-methyl-2-(2-naphthalen-2-yloxyethyl)pyrazol-3-yl] 4-methylbenzoate

C24H22N2O3 — CID 22769242

IUPAC[5-methyl-2-(2-naphthalen-2-yloxyethyl)pyrazol-3-yl] 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2cc(C)nn2CCOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H22N2O3/c1-17-7-9-20(10-8-17)24(27)29-23-15-18(2)25-26(23)13-14-28-22-12-11-19-5-3-4-6-21(19)16-22/h3-12,15-16H,13-14H2,1-2H3
InChIKeyFTQJSUFUDIJMQW-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.95
Rot. Bonds6

About [5-methyl-2-(2-naphthalen-2-yloxyethyl)pyrazol-3-yl] 4-methylbenzoate

[5-methyl-2-(2-naphthalen-2-yloxyethyl)pyrazol-3-yl] 4-methylbenzoate (PubChem CID 22769242) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is [5-methyl-2-(2-naphthalen-2-yloxyethyl)pyrazol-3-yl] 4-methylbenzoate.

Molecular Properties

Compound Name[5-methyl-2-(2-naphthalen-2-yloxyethyl)pyrazol-3-yl] 4-methylbenzoate
PubChem CID22769242
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name[5-methyl-2-(2-naphthalen-2-yloxyethyl)pyrazol-3-yl] 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2cc(C)nn2CCOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H22N2O3/c1-17-7-9-20(10-8-17)24(27)29-23-15-18(2)25-26(23)13-14-28-22-12-11-19-5-3-4-6-21(19)16-22/h3-12,15-16H,13-14H2,1-2H3
InChIKeyFTQJSUFUDIJMQW-UHFFFAOYSA-N
XLogP4.95
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dimethylpyrazol-3-yl) 4-methylbenzoate
CID 56692347
5-methyl-2-[2-(3-methylphenoxy)ethyl]pyrazole-3-carboxylic acid
CID 82301521
phenyl 4-[(4-methylphenoxy)methoxy]benzoate
CID 21306270
naphthalen-2-yl 4-hexoxybenzoate
CID 23011426
naphthalen-2-yl 4-methoxybenzoate
CID 532400
1-(3,5-dimethylpyrazol-1-yl)-2-naphthalen-2-yloxyethanone
CID 3157080
naphthalen-2-yl 4-(2-phenylethoxy)benzoate
CID 23012279
(7-methoxynaphthalen-2-yl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 32616229
(1,3-diphenylpyrazol-5-yl) 4-methylbenzoate
CID 42726766
naphthalen-2-yl 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
CID 2573233
(3-methylphenyl) 4-(2-phenoxyethoxy)benzoate
CID 23011970
4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 809232

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(2-naphthalen-2-yloxyethyl)pyrazol-3-yl] 4-methylbenzoate?
The IUPAC name of [5-methyl-2-(2-naphthalen-2-yloxyethyl)pyrazol-3-yl] 4-methylbenzoate (CID 22769242) is [5-methyl-2-(2-naphthalen-2-yloxyethyl)pyrazol-3-yl] 4-methylbenzoate.
What is the SMILES notation for [5-methyl-2-(2-naphthalen-2-yloxyethyl)pyrazol-3-yl] 4-methylbenzoate?
The canonical SMILES for [5-methyl-2-(2-naphthalen-2-yloxyethyl)pyrazol-3-yl] 4-methylbenzoate is Cc1ccc(C(=O)Oc2cc(C)nn2CCOc2ccc3ccccc3c2)cc1.
What is the InChIKey of [5-methyl-2-(2-naphthalen-2-yloxyethyl)pyrazol-3-yl] 4-methylbenzoate?
The InChIKey is FTQJSUFUDIJMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-17-7-9-20(10-8-17)24(27)29-23-15-18(2)25-26(23)13-14-28-22-12-11-19-5-3-4-6-21(19)16-22/h3-12,15-16H,13-14H2,1-2H3.
What are the key properties of [5-methyl-2-(2-naphthalen-2-yloxyethyl)pyrazol-3-yl] 4-methylbenzoate?
[5-methyl-2-(2-naphthalen-2-yloxyethyl)pyrazol-3-yl] 4-methylbenzoate has a molecular weight of 386.45 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(2-naphthalen-2-yloxyethyl)pyrazol-3-yl] 4-methylbenzoate is sourced from PubChem (CID 22769242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).