[1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 4-methylbenzoate

C22H24N2O2 — CID 770801

IUPAC[1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 4-methylbenzoate
SMILESCCCc1cc(OC(=O)c2ccc(C)cc2)n(-c2ccc(C)cc2C)n1
InChIInChI=1S/C22H24N2O2/c1-5-6-19-14-21(26-22(25)18-10-7-15(2)8-11-18)24(23-19)20-12-9-16(3)13-17(20)4/h7-14H,5-6H2,1-4H3
InChIKeyPLTBXCFSERORHU-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.97
Rot. Bonds5

About [1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 4-methylbenzoate

[1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 4-methylbenzoate (PubChem CID 770801) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is [1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 4-methylbenzoate.

Molecular Properties

Compound Name[1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 4-methylbenzoate
PubChem CID770801
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name[1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 4-methylbenzoate
SMILESCCCc1cc(OC(=O)c2ccc(C)cc2)n(-c2ccc(C)cc2C)n1
InChIInChI=1S/C22H24N2O2/c1-5-6-19-14-21(26-22(25)18-10-7-15(2)8-11-18)24(23-19)20-12-9-16(3)13-17(20)4/h7-14H,5-6H2,1-4H3
InChIKeyPLTBXCFSERORHU-UHFFFAOYSA-N
XLogP4.97
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 2,4-dimethoxybenzoate
CID 1061666
[1-(2-methylphenyl)-3-propylpyrazol-5-yl] 4-fluorobenzoate
CID 42727372
[1-(2,4-dimethylphenyl)-3-(methoxymethyl)pyrazol-5-yl] 4-tert-butylbenzoate
CID 42727298
[1-(2-methylphenyl)-3-propylpyrazol-5-yl] 4-hexylbenzoate
CID 3573735
[2-(2,4-dimethylphenyl)-5-methylpyrazol-3-yl] 4-fluorobenzoate
CID 42727250
[1-(4-methylphenyl)-3-propylpyrazol-5-yl] 3,5-dimethoxybenzoate
CID 1061772
[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl] 4-bromobenzoate
CID 42727334
[3-(methoxymethyl)-1-phenylpyrazol-5-yl] 4-methylbenzoate
CID 42726686
[1-(3-fluorophenyl)-3-propylpyrazol-5-yl] benzoate
CID 42727968
[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl] naphthalene-2-carboxylate
CID 42727332
[1-(2-methylphenyl)-3-propylpyrazol-5-yl] 2,2-diphenylacetate
CID 3896349
[1-(2,4-dimethylphenyl)-3-propan-2-ylpyrazol-5-yl] 4-methyl-3-nitrobenzoate
CID 42727198

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 4-methylbenzoate?
The IUPAC name of [1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 4-methylbenzoate (CID 770801) is [1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 4-methylbenzoate.
What is the SMILES notation for [1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 4-methylbenzoate?
The canonical SMILES for [1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 4-methylbenzoate is CCCc1cc(OC(=O)c2ccc(C)cc2)n(-c2ccc(C)cc2C)n1.
What is the InChIKey of [1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 4-methylbenzoate?
The InChIKey is PLTBXCFSERORHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-5-6-19-14-21(26-22(25)18-10-7-15(2)8-11-18)24(23-19)20-12-9-16(3)13-17(20)4/h7-14H,5-6H2,1-4H3.
What are the key properties of [1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 4-methylbenzoate?
[1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 4-methylbenzoate has a molecular weight of 348.45 g/mol, XLogP of 4.97, 5 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-propylpyrazol-5-yl] 4-methylbenzoate is sourced from PubChem (CID 770801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).