ethyl 4-[[1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate

C24H33N5O3 — CID 46280231

IUPACethyl 4-[[1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cnn(-c3cccc(C)c3)c2C2CCNCC2)CC1
InChIInChI=1S/C24H33N5O3/c1-3-32-24(31)28-13-9-19(10-14-28)27-23(30)21-16-26-29(20-6-4-5-17(2)15-20)22(21)18-7-11-25-12-8-18/h4-6,15-16,18-19,25H,3,7-14H2,1-2H3,(H,27,30)
InChIKeyWYRNBUFFPJIKSV-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.00
Rot. Bonds5

About ethyl 4-[[1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 46280231) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is ethyl 4-[[1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate
PubChem CID46280231
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC Nameethyl 4-[[1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cnn(-c3cccc(C)c3)c2C2CCNCC2)CC1
InChIInChI=1S/C24H33N5O3/c1-3-32-24(31)28-13-9-19(10-14-28)27-23(30)21-16-26-29(20-6-4-5-17(2)15-20)22(21)18-7-11-25-12-8-18/h4-6,15-16,18-19,25H,3,7-14H2,1-2H3,(H,27,30)
InChIKeyWYRNBUFFPJIKSV-UHFFFAOYSA-N
XLogP3.00
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[[1-(2,4-difluorophenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 155901037
N-(2-ethoxyphenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953879
N-(2-ethoxyphenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146059792
ethyl 4-[[5-methyl-1-(3-methylphenyl)pyrazole-3-carbonyl]amino]piperidine-1-carboxylate
CID 110372841
1-(3-methylphenyl)-N-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053191
N-(4-ethylphenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053168
N-(4-acetamidophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146059794
N-(4-chlorophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053171
N-cyclohexyl-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20918586
tert-butyl 4-[1-(3-methylphenyl)-4-(2-phenylethylcarbamoyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 46281061
ethyl 4-[(2-pyrrolidin-3-ylbenzoyl)amino]piperidine-1-carboxylate
CID 56893622
5-cyclopropyl-N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119385987

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate (CID 46280231) is ethyl 4-[[1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cnn(-c3cccc(C)c3)c2C2CCNCC2)CC1.
What is the InChIKey of ethyl 4-[[1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is WYRNBUFFPJIKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-3-32-24(31)28-13-9-19(10-14-28)27-23(30)21-16-26-29(20-6-4-5-17(2)15-20)22(21)18-7-11-25-12-8-18/h4-6,15-16,18-19,25H,3,7-14H2,1-2H3,(H,27,30).
What are the key properties of ethyl 4-[[1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 439.56 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 46280231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).