tert-butyl 4-[5-(2-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate

C28H35N3O4 — CID 68511134

IUPACtert-butyl 4-[5-(2-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate
SMILESCOc1ccc(-n2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2-c2cc(C)ccc2OC)cc1
InChIInChI=1S/C28H35N3O4/c1-19-7-12-26(34-6)23(17-19)25-18-24(29-31(25)21-8-10-22(33-5)11-9-21)20-13-15-30(16-14-20)27(32)35-28(2,3)4/h7-12,17-18,20H,13-16H2,1-6H3
InChIKeyLJOHOMKIQLAPFE-UHFFFAOYSA-N
MW477.61 g/mol
LogP5.98
Rot. Bonds5

About tert-butyl 4-[5-(2-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate

tert-butyl 4-[5-(2-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate (PubChem CID 68511134) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is tert-butyl 4-[5-(2-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(2-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate
PubChem CID68511134
Molecular FormulaC28H35N3O4
Molecular Weight477.61 g/mol
Exact Mass477.26
IUPAC Nametert-butyl 4-[5-(2-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate
SMILESCOc1ccc(-n2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2-c2cc(C)ccc2OC)cc1
InChIInChI=1S/C28H35N3O4/c1-19-7-12-26(34-6)23(17-19)25-18-24(29-31(25)21-8-10-22(33-5)11-9-21)20-13-15-30(16-14-20)27(32)35-28(2,3)4/h7-12,17-18,20H,13-16H2,1-6H3
InChIKeyLJOHOMKIQLAPFE-UHFFFAOYSA-N
XLogP5.98
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[5-(2-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-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

N-hydroxy-4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 59486572
tert-butyl 4-[4-fluoro-1,5-bis(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate
CID 145464557
tert-butyl 4-[4-[2-(2,4-dimethoxyphenyl)ethylcarbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 46281245
tert-butyl 4-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-1-(4-methylphenyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 46280535
tert-butyl 4-[(2-methoxy-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 29206094
N-hydroxy-4-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-N-methylpiperidine-1-carboxamide
CID 59486783
tert-butyl 4-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxylate
CID 90737093
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
tert-butyl 4-[(Z)-2-(4-methoxyphenyl)ethenyl]piperidine-1-carboxylate
CID 134385626
tert-butyl 4-(2-amino-5-methylphenyl)piperidine-1-carboxylate
CID 172675049
tert-butyl 4-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]piperidine-1-carboxylate
CID 118960889
tert-butyl 4-(2,5-dimethoxyphenyl)piperazine-1-carboxylate
CID 113077843

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(2-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(2-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate (CID 68511134) is tert-butyl 4-[5-(2-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(2-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(2-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate is COc1ccc(-n2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2-c2cc(C)ccc2OC)cc1.
What is the InChIKey of tert-butyl 4-[5-(2-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate?
The InChIKey is LJOHOMKIQLAPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O4/c1-19-7-12-26(34-6)23(17-19)25-18-24(29-31(25)21-8-10-22(33-5)11-9-21)20-13-15-30(16-14-20)27(32)35-28(2,3)4/h7-12,17-18,20H,13-16H2,1-6H3.
What are the key properties of tert-butyl 4-[5-(2-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-(2-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate has a molecular weight of 477.61 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(2-methoxy-5-methylphenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 68511134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).