[1-(2,3-dimethylphenyl)-3-ethylpyrazol-5-yl] naphthalene-2-carboxylate

C24H22N2O2 — CID 42726908

IUPAC[1-(2,3-dimethylphenyl)-3-ethylpyrazol-5-yl] naphthalene-2-carboxylate
SMILESCCc1cc(OC(=O)c2ccc3ccccc3c2)n(-c2cccc(C)c2C)n1
InChIInChI=1S/C24H22N2O2/c1-4-21-15-23(26(25-21)22-11-7-8-16(2)17(22)3)28-24(27)20-13-12-18-9-5-6-10-19(18)14-20/h5-15H,4H2,1-3H3
InChIKeyVGCGKECYAGMBJC-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.42
Rot. Bonds4

About [1-(2,3-dimethylphenyl)-3-ethylpyrazol-5-yl] naphthalene-2-carboxylate

[1-(2,3-dimethylphenyl)-3-ethylpyrazol-5-yl] naphthalene-2-carboxylate (PubChem CID 42726908) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is [1-(2,3-dimethylphenyl)-3-ethylpyrazol-5-yl] naphthalene-2-carboxylate.

Molecular Properties

Compound Name[1-(2,3-dimethylphenyl)-3-ethylpyrazol-5-yl] naphthalene-2-carboxylate
PubChem CID42726908
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name[1-(2,3-dimethylphenyl)-3-ethylpyrazol-5-yl] naphthalene-2-carboxylate
SMILESCCc1cc(OC(=O)c2ccc3ccccc3c2)n(-c2cccc(C)c2C)n1
InChIInChI=1S/C24H22N2O2/c1-4-21-15-23(26(25-21)22-11-7-8-16(2)17(22)3)28-24(27)20-13-12-18-9-5-6-10-19(18)14-20/h5-15H,4H2,1-3H3
InChIKeyVGCGKECYAGMBJC-UHFFFAOYSA-N
XLogP5.42
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 1,3-benzodioxole-5-carboxylate
CID 42727349
[3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 3,5-dimethoxybenzoate
CID 42727344
[1-(2-methylphenyl)-3-propylpyrazol-5-yl] 4-fluorobenzoate
CID 42727372
[1-(2,3-dimethylphenyl)-3-phenylpyrazol-5-yl] 4-fluorobenzoate
CID 42726844
[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl] naphthalene-2-carboxylate
CID 42727332
[1-(2-methylphenyl)-3-propylpyrazol-5-yl] 4-hexylbenzoate
CID 3573735
[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] benzoate
CID 770808
[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] 3-fluorobenzoate
CID 42727436
[1-(2-methylphenyl)-3-propan-2-ylpyrazol-5-yl] 4-fluorobenzoate
CID 42727351
[1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 4-methylbenzoate
CID 770801
[1-(2-methylphenyl)-3-propan-2-ylpyrazol-5-yl] 4-hexylbenzoate
CID 3963570
[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] 4-fluorobenzoate
CID 42727427

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dimethylphenyl)-3-ethylpyrazol-5-yl] naphthalene-2-carboxylate?
The IUPAC name of [1-(2,3-dimethylphenyl)-3-ethylpyrazol-5-yl] naphthalene-2-carboxylate (CID 42726908) is [1-(2,3-dimethylphenyl)-3-ethylpyrazol-5-yl] naphthalene-2-carboxylate.
What is the SMILES notation for [1-(2,3-dimethylphenyl)-3-ethylpyrazol-5-yl] naphthalene-2-carboxylate?
The canonical SMILES for [1-(2,3-dimethylphenyl)-3-ethylpyrazol-5-yl] naphthalene-2-carboxylate is CCc1cc(OC(=O)c2ccc3ccccc3c2)n(-c2cccc(C)c2C)n1.
What is the InChIKey of [1-(2,3-dimethylphenyl)-3-ethylpyrazol-5-yl] naphthalene-2-carboxylate?
The InChIKey is VGCGKECYAGMBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-4-21-15-23(26(25-21)22-11-7-8-16(2)17(22)3)28-24(27)20-13-12-18-9-5-6-10-19(18)14-20/h5-15H,4H2,1-3H3.
What are the key properties of [1-(2,3-dimethylphenyl)-3-ethylpyrazol-5-yl] naphthalene-2-carboxylate?
[1-(2,3-dimethylphenyl)-3-ethylpyrazol-5-yl] naphthalene-2-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dimethylphenyl)-3-ethylpyrazol-5-yl] naphthalene-2-carboxylate is sourced from PubChem (CID 42726908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).