[3-(methoxymethyl)-1-phenylpyrazol-5-yl] 4-butylbenzoate

C22H24N2O3 — CID 42726698

IUPAC[3-(methoxymethyl)-1-phenylpyrazol-5-yl] 4-butylbenzoate
SMILESCCCCc1ccc(C(=O)Oc2cc(COC)nn2-c2ccccc2)cc1
InChIInChI=1S/C22H24N2O3/c1-3-4-8-17-11-13-18(14-12-17)22(25)27-21-15-19(16-26-2)23-24(21)20-9-6-5-7-10-20/h5-7,9-15H,3-4,8,16H2,1-2H3
InChIKeyRJBYPDHCGJIQHK-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.58
Rot. Bonds8

About [3-(methoxymethyl)-1-phenylpyrazol-5-yl] 4-butylbenzoate

[3-(methoxymethyl)-1-phenylpyrazol-5-yl] 4-butylbenzoate (PubChem CID 42726698) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is [3-(methoxymethyl)-1-phenylpyrazol-5-yl] 4-butylbenzoate.

Molecular Properties

Compound Name[3-(methoxymethyl)-1-phenylpyrazol-5-yl] 4-butylbenzoate
PubChem CID42726698
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name[3-(methoxymethyl)-1-phenylpyrazol-5-yl] 4-butylbenzoate
SMILESCCCCc1ccc(C(=O)Oc2cc(COC)nn2-c2ccccc2)cc1
InChIInChI=1S/C22H24N2O3/c1-3-4-8-17-11-13-18(14-12-17)22(25)27-21-15-19(16-26-2)23-24(21)20-9-6-5-7-10-20/h5-7,9-15H,3-4,8,16H2,1-2H3
InChIKeyRJBYPDHCGJIQHK-UHFFFAOYSA-N
XLogP4.58
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(methoxymethyl)-1-phenylpyrazol-5-yl] 4-butylbenzoate 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-methylphenyl)-3-propylpyrazol-5-yl] 4-hexylbenzoate
CID 3573735
[1-(3,4-dichlorophenyl)-3-(methoxymethyl)pyrazol-5-yl] benzoate
CID 1061709
[1-(4-fluorophenyl)-3-propylpyrazol-5-yl] 4-ethylbenzoate
CID 42727023
[1-(3-fluorophenyl)-3-propylpyrazol-5-yl] benzoate
CID 42727968
[1-(2-methylphenyl)-3-propan-2-ylpyrazol-5-yl] 4-hexylbenzoate
CID 3963570
[1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl] 4-pentylbenzoate
CID 4538299
[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] benzoate
CID 770808
phenyl 4-octadecylbenzoate
CID 23321542
[1-(3-chlorophenyl)-3-(methoxymethyl)pyrazol-5-yl] 3-fluorobenzoate
CID 42727058
[1-(2-methylphenyl)-3-propylpyrazol-5-yl] 4-fluorobenzoate
CID 42727372
bis(4-butylphenyl) benzene-1,4-dicarboxylate
CID 624550
naphthalen-2-yl 4-butylbenzoate
CID 532284

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-1-phenylpyrazol-5-yl] 4-butylbenzoate?
The IUPAC name of [3-(methoxymethyl)-1-phenylpyrazol-5-yl] 4-butylbenzoate (CID 42726698) is [3-(methoxymethyl)-1-phenylpyrazol-5-yl] 4-butylbenzoate.
What is the SMILES notation for [3-(methoxymethyl)-1-phenylpyrazol-5-yl] 4-butylbenzoate?
The canonical SMILES for [3-(methoxymethyl)-1-phenylpyrazol-5-yl] 4-butylbenzoate is CCCCc1ccc(C(=O)Oc2cc(COC)nn2-c2ccccc2)cc1.
What is the InChIKey of [3-(methoxymethyl)-1-phenylpyrazol-5-yl] 4-butylbenzoate?
The InChIKey is RJBYPDHCGJIQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-3-4-8-17-11-13-18(14-12-17)22(25)27-21-15-19(16-26-2)23-24(21)20-9-6-5-7-10-20/h5-7,9-15H,3-4,8,16H2,1-2H3.
What are the key properties of [3-(methoxymethyl)-1-phenylpyrazol-5-yl] 4-butylbenzoate?
[3-(methoxymethyl)-1-phenylpyrazol-5-yl] 4-butylbenzoate has a molecular weight of 364.45 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)-1-phenylpyrazol-5-yl] 4-butylbenzoate is sourced from PubChem (CID 42726698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).