ethyl 5-(4-ethylphenyl)-1-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrazole-3-carboxylate

C28H33N3O3 — CID 46097628

IUPACethyl 5-(4-ethylphenyl)-1-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(CC)cc2)n(C2CCN(C(=O)CCc3ccccc3)CC2)n1
InChIInChI=1S/C28H33N3O3/c1-3-21-10-13-23(14-11-21)26-20-25(28(33)34-4-2)29-31(26)24-16-18-30(19-17-24)27(32)15-12-22-8-6-5-7-9-22/h5-11,13-14,20,24H,3-4,12,15-19H2,1-2H3
InChIKeyRPNVADMIQHEHDH-UHFFFAOYSA-N
MW459.59 g/mol
LogP5.09
Rot. Bonds8

About ethyl 5-(4-ethylphenyl)-1-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrazole-3-carboxylate

ethyl 5-(4-ethylphenyl)-1-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrazole-3-carboxylate (PubChem CID 46097628) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is ethyl 5-(4-ethylphenyl)-1-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-ethylphenyl)-1-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrazole-3-carboxylate
PubChem CID46097628
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC Nameethyl 5-(4-ethylphenyl)-1-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(CC)cc2)n(C2CCN(C(=O)CCc3ccccc3)CC2)n1
InChIInChI=1S/C28H33N3O3/c1-3-21-10-13-23(14-11-21)26-20-25(28(33)34-4-2)29-31(26)24-16-18-30(19-17-24)27(32)15-12-22-8-6-5-7-9-22/h5-11,13-14,20,24H,3-4,12,15-19H2,1-2H3
InChIKeyRPNVADMIQHEHDH-UHFFFAOYSA-N
XLogP5.09
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-(4-ethylphenyl)-1-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrazole-3-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

ethyl 5-(4-fluorophenyl)-1-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]pyrazole-3-carboxylate
CID 92770029
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
1-(4-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one;hydrochloride
CID 119374555
ethyl N-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]carbamate
CID 46411072
3-(4-ethylphenyl)-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 110749751
1-[4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 46704974
ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate
CID 108566087
7-ethyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 142552008
1-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 46081187
4-cyclopropyl-2-methyl-5-[1-(3-phenylpropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 90540706
(3R)-1-[4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one
CID 92768050
(3S)-1-[4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-3-methylpentan-1-one
CID 92768051

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-ethylphenyl)-1-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(4-ethylphenyl)-1-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrazole-3-carboxylate (CID 46097628) is ethyl 5-(4-ethylphenyl)-1-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-ethylphenyl)-1-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(4-ethylphenyl)-1-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrazole-3-carboxylate is CCOC(=O)c1cc(-c2ccc(CC)cc2)n(C2CCN(C(=O)CCc3ccccc3)CC2)n1.
What is the InChIKey of ethyl 5-(4-ethylphenyl)-1-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrazole-3-carboxylate?
The InChIKey is RPNVADMIQHEHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-3-21-10-13-23(14-11-21)26-20-25(28(33)34-4-2)29-31(26)24-16-18-30(19-17-24)27(32)15-12-22-8-6-5-7-9-22/h5-11,13-14,20,24H,3-4,12,15-19H2,1-2H3.
What are the key properties of ethyl 5-(4-ethylphenyl)-1-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrazole-3-carboxylate?
ethyl 5-(4-ethylphenyl)-1-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrazole-3-carboxylate has a molecular weight of 459.59 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-ethylphenyl)-1-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrazole-3-carboxylate is sourced from PubChem (CID 46097628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).