methyl 5-(3-cyclopropyloxyphenyl)-1-[[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methyl]pyrazole-3-carboxylate

C28H34N4O4Si — CID 140877303

IUPACmethyl 5-(3-cyclopropyloxyphenyl)-1-[[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methyl]pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(OC3CC3)c2)n(Cc2ccc3cnn(COCC[Si](C)(C)C)c3c2)n1
InChIInChI=1S/C28H34N4O4Si/c1-34-28(33)25-16-27(21-6-5-7-24(15-21)36-23-10-11-23)31(30-25)18-20-8-9-22-17-29-32(26(22)14-20)19-35-12-13-37(2,3)4/h5-9,14-17,23H,10-13,18-19H2,1-4H3
InChIKeyJZDLRXFMIVMBSO-UHFFFAOYSA-N
MW518.69 g/mol
LogP5.59
Rot. Bonds11

About methyl 5-(3-cyclopropyloxyphenyl)-1-[[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methyl]pyrazole-3-carboxylate

methyl 5-(3-cyclopropyloxyphenyl)-1-[[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methyl]pyrazole-3-carboxylate (PubChem CID 140877303) has the molecular formula C28H34N4O4Si and a molecular weight of 518.69 g/mol. Its IUPAC name is methyl 5-(3-cyclopropyloxyphenyl)-1-[[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-cyclopropyloxyphenyl)-1-[[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methyl]pyrazole-3-carboxylate
PubChem CID140877303
Molecular FormulaC28H34N4O4Si
Molecular Weight518.69 g/mol
Exact Mass518.23
IUPAC Namemethyl 5-(3-cyclopropyloxyphenyl)-1-[[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methyl]pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(OC3CC3)c2)n(Cc2ccc3cnn(COCC[Si](C)(C)C)c3c2)n1
InChIInChI=1S/C28H34N4O4Si/c1-34-28(33)25-16-27(21-6-5-7-24(15-21)36-23-10-11-23)31(30-25)18-20-8-9-22-17-29-32(26(22)14-20)19-35-12-13-37(2,3)4/h5-9,14-17,23H,10-13,18-19H2,1-4H3
InChIKeyJZDLRXFMIVMBSO-UHFFFAOYSA-N
XLogP5.59
TPSA80.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.69
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze methyl 5-(3-cyclopropyloxyphenyl)-1-[[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methyl]pyrazole-3-carboxylate with MolForge

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Related Compounds

methyl 1-[(2-cyclopropyloxyphenyl)methyl]-5-(3-methoxyphenyl)pyrazole-3-carboxylate
CID 134587090
2-[[5-(3-cyclopropyloxyphenyl)-1-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid
CID 140877315
trimethyl-[2-[(6-phenylindazol-1-yl)methoxy]ethyl]silane
CID 141183525
methyl 1-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate
CID 167405141
methyl 5-(3-cyclopropyloxyphenyl)-1-(2,5-dichlorophenyl)pyrazole-3-carboxylate
CID 154024643
methyl 5-(3-cyclopropyloxyphenyl)-1-(2-nitrophenyl)pyrazole-3-carboxylate
CID 154024646
1-[(3-aminophenyl)methyl]-5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyridin-2-one
CID 140931469
methyl 3-[5-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-6-yl]benzoate
CID 154628869
methyl 1-[[4-(dimethylamino)phenyl]methyl]-5-[3-(2-methylpropoxy)phenyl]pyrazole-3-carboxylate
CID 134587008
1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid
CID 156717889
methyl 1-[(3-chloro-4-methylphenyl)methyl]-5-(3,4-dimethylphenyl)pyrazole-3-carboxylate
CID 54369353
methyl 5-[[3,5-bis(3-methoxyphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate
CID 19585888

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-cyclopropyloxyphenyl)-1-[[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methyl]pyrazole-3-carboxylate?
The IUPAC name of methyl 5-(3-cyclopropyloxyphenyl)-1-[[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methyl]pyrazole-3-carboxylate (CID 140877303) is methyl 5-(3-cyclopropyloxyphenyl)-1-[[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methyl]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-(3-cyclopropyloxyphenyl)-1-[[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methyl]pyrazole-3-carboxylate?
The canonical SMILES for methyl 5-(3-cyclopropyloxyphenyl)-1-[[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methyl]pyrazole-3-carboxylate is COC(=O)c1cc(-c2cccc(OC3CC3)c2)n(Cc2ccc3cnn(COCC[Si](C)(C)C)c3c2)n1.
What is the InChIKey of methyl 5-(3-cyclopropyloxyphenyl)-1-[[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methyl]pyrazole-3-carboxylate?
The InChIKey is JZDLRXFMIVMBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4Si/c1-34-28(33)25-16-27(21-6-5-7-24(15-21)36-23-10-11-23)31(30-25)18-20-8-9-22-17-29-32(26(22)14-20)19-35-12-13-37(2,3)4/h5-9,14-17,23H,10-13,18-19H2,1-4H3.
What are the key properties of methyl 5-(3-cyclopropyloxyphenyl)-1-[[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methyl]pyrazole-3-carboxylate?
methyl 5-(3-cyclopropyloxyphenyl)-1-[[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methyl]pyrazole-3-carboxylate has a molecular weight of 518.69 g/mol, XLogP of 5.59, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-cyclopropyloxyphenyl)-1-[[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methyl]pyrazole-3-carboxylate is sourced from PubChem (CID 140877303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).