[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl] naphthalene-2-carboxylate

C28H22N2O2 — CID 42727332

IUPAC[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl] naphthalene-2-carboxylate
SMILESCc1ccc(-n2nc(-c3ccccc3)cc2OC(=O)c2ccc3ccccc3c2)c(C)c1
InChIInChI=1S/C28H22N2O2/c1-19-12-15-26(20(2)16-19)30-27(18-25(29-30)22-9-4-3-5-10-22)32-28(31)24-14-13-21-8-6-7-11-23(21)17-24/h3-18H,1-2H3
InChIKeyYYCSGBRCSAQGHO-UHFFFAOYSA-N
MW418.50 g/mol
LogP6.53
Rot. Bonds4

About [1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl] naphthalene-2-carboxylate

[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl] naphthalene-2-carboxylate (PubChem CID 42727332) has the molecular formula C28H22N2O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is [1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl] naphthalene-2-carboxylate.

Molecular Properties

Compound Name[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl] naphthalene-2-carboxylate
PubChem CID42727332
Molecular FormulaC28H22N2O2
Molecular Weight418.50 g/mol
Exact Mass418.17
IUPAC Name[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl] naphthalene-2-carboxylate
SMILESCc1ccc(-n2nc(-c3ccccc3)cc2OC(=O)c2ccc3ccccc3c2)c(C)c1
InChIInChI=1S/C28H22N2O2/c1-19-12-15-26(20(2)16-19)30-27(18-25(29-30)22-9-4-3-5-10-22)32-28(31)24-14-13-21-8-6-7-11-23(21)17-24/h3-18H,1-2H3
InChIKeyYYCSGBRCSAQGHO-UHFFFAOYSA-N
XLogP6.53
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl] naphthalene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl] 4-bromobenzoate
CID 42727334
(1,3-diphenylpyrazol-5-yl) 4-methylbenzoate
CID 42726766
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 4-methoxybenzoate
CID 1061728
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 3-methoxybenzoate
CID 1061733
[1-(2,3-dimethylphenyl)-3-phenylpyrazol-5-yl] 4-fluorobenzoate
CID 42726844
[2-(2,4-dimethylphenyl)-5-methylpyrazol-3-yl] 4-fluorobenzoate
CID 42727250
[1-(4-methylphenyl)-3-phenylpyrazol-5-yl] 3-fluorobenzoate
CID 1061718
[1-(2,3-dimethylphenyl)-3-ethylpyrazol-5-yl] naphthalene-2-carboxylate
CID 42726908
[1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 4-methylbenzoate
CID 770801
5-chloro-1-(2,4-dimethylphenyl)-3-phenylpyrazole
CID 66021165
[1-(2,4-dimethylphenyl)-3-propan-2-ylpyrazol-5-yl] 4-methyl-3-nitrobenzoate
CID 42727198
N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide
CID 42730554

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl] naphthalene-2-carboxylate?
The IUPAC name of [1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl] naphthalene-2-carboxylate (CID 42727332) is [1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl] naphthalene-2-carboxylate.
What is the SMILES notation for [1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl] naphthalene-2-carboxylate?
The canonical SMILES for [1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl] naphthalene-2-carboxylate is Cc1ccc(-n2nc(-c3ccccc3)cc2OC(=O)c2ccc3ccccc3c2)c(C)c1.
What is the InChIKey of [1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl] naphthalene-2-carboxylate?
The InChIKey is YYCSGBRCSAQGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O2/c1-19-12-15-26(20(2)16-19)30-27(18-25(29-30)22-9-4-3-5-10-22)32-28(31)24-14-13-21-8-6-7-11-23(21)17-24/h3-18H,1-2H3.
What are the key properties of [1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl] naphthalene-2-carboxylate?
[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl] naphthalene-2-carboxylate has a molecular weight of 418.50 g/mol, XLogP of 6.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl] naphthalene-2-carboxylate is sourced from PubChem (CID 42727332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).