methyl 4-[[3-tert-butyl-5-(2-phenylethyl)pyrazol-1-yl]methyl]benzoate

C24H28N2O2 — CID 23157206

IUPACmethyl 4-[[3-tert-butyl-5-(2-phenylethyl)pyrazol-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2nc(C(C)(C)C)cc2CCc2ccccc2)cc1
InChIInChI=1S/C24H28N2O2/c1-24(2,3)22-16-21(15-12-18-8-6-5-7-9-18)26(25-22)17-19-10-13-20(14-11-19)23(27)28-4/h5-11,13-14,16H,12,15,17H2,1-4H3
InChIKeyCGSXHGCNUHQOJR-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.80
Rot. Bonds6

About methyl 4-[[3-tert-butyl-5-(2-phenylethyl)pyrazol-1-yl]methyl]benzoate

methyl 4-[[3-tert-butyl-5-(2-phenylethyl)pyrazol-1-yl]methyl]benzoate (PubChem CID 23157206) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is methyl 4-[[3-tert-butyl-5-(2-phenylethyl)pyrazol-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-tert-butyl-5-(2-phenylethyl)pyrazol-1-yl]methyl]benzoate
PubChem CID23157206
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Namemethyl 4-[[3-tert-butyl-5-(2-phenylethyl)pyrazol-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2nc(C(C)(C)C)cc2CCc2ccccc2)cc1
InChIInChI=1S/C24H28N2O2/c1-24(2,3)22-16-21(15-12-18-8-6-5-7-9-18)26(25-22)17-19-10-13-20(14-11-19)23(27)28-4/h5-11,13-14,16H,12,15,17H2,1-4H3
InChIKeyCGSXHGCNUHQOJR-UHFFFAOYSA-N
XLogP4.80
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[3-tert-butyl-5-(2-phenylethyl)pyrazol-1-yl]methyl]benzoate with MolForge

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Related Compounds

methyl 4-[(2-tert-butyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzoate
CID 138048297
(4-methylphenyl) 1-benzyl-3-tert-butylpyrazole-5-carboxylate
CID 3634131
(4-chloro-3,5-dimethylphenyl) 1-benzyl-3-tert-butylpyrazole-5-carboxylate
CID 2744524
methyl 4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzoate
CID 5009939
1-benzyl-3-tert-butylpyrazole-5-carboxylic acid;4-tert-butylaniline
CID 70178904
ethane;methyl 4-[(benzylamino)methyl]benzoate
CID 144842755
methyl 1-benzyl-5-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate
CID 145427559
1-benzyl-3-tert-butylpyrazole-5-carboxylic acid;4-chloroaniline
CID 70179935
methyl 4-(2-phenylethylamino)benzoate
CID 43217242
methyl 3-[4-[[4-[[5-(2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]phenyl]methylamino]phenyl]propanoate
CID 23157687
methyl 4-(3-phenylpropanoyl)benzoate
CID 11184731
methyl 4-(1,2,4-triazol-4-ylmethyl)benzoate
CID 56737284

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-tert-butyl-5-(2-phenylethyl)pyrazol-1-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[3-tert-butyl-5-(2-phenylethyl)pyrazol-1-yl]methyl]benzoate (CID 23157206) is methyl 4-[[3-tert-butyl-5-(2-phenylethyl)pyrazol-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[3-tert-butyl-5-(2-phenylethyl)pyrazol-1-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[3-tert-butyl-5-(2-phenylethyl)pyrazol-1-yl]methyl]benzoate is COC(=O)c1ccc(Cn2nc(C(C)(C)C)cc2CCc2ccccc2)cc1.
What is the InChIKey of methyl 4-[[3-tert-butyl-5-(2-phenylethyl)pyrazol-1-yl]methyl]benzoate?
The InChIKey is CGSXHGCNUHQOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-24(2,3)22-16-21(15-12-18-8-6-5-7-9-18)26(25-22)17-19-10-13-20(14-11-19)23(27)28-4/h5-11,13-14,16H,12,15,17H2,1-4H3.
What are the key properties of methyl 4-[[3-tert-butyl-5-(2-phenylethyl)pyrazol-1-yl]methyl]benzoate?
methyl 4-[[3-tert-butyl-5-(2-phenylethyl)pyrazol-1-yl]methyl]benzoate has a molecular weight of 376.50 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-tert-butyl-5-(2-phenylethyl)pyrazol-1-yl]methyl]benzoate is sourced from PubChem (CID 23157206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).