1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide

C27H34N4O2 — CID 41088189

IUPAC1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2c(C)nn(Cc3ccccc3)c2C)N2CCCCC2)cc1
InChIInChI=1S/C27H34N4O2/c1-20-26(21(2)31(29-20)19-22-10-6-4-7-11-22)27(32)28-18-25(30-16-8-5-9-17-30)23-12-14-24(33-3)15-13-23/h4,6-7,10-15,25H,5,8-9,16-19H2,1-3H3,(H,28,32)/t25-/m1/s1
InChIKeyUTUAGLYJLJAXNN-RUZDIDTESA-N
MW446.60 g/mol
LogP4.51
Rot. Bonds8

About 1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide

1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 41088189) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide
PubChem CID41088189
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2c(C)nn(Cc3ccccc3)c2C)N2CCCCC2)cc1
InChIInChI=1S/C27H34N4O2/c1-20-26(21(2)31(29-20)19-22-10-6-4-7-11-22)27(32)28-18-25(30-16-8-5-9-17-30)23-12-14-24(33-3)15-13-23/h4,6-7,10-15,25H,5,8-9,16-19H2,1-3H3,(H,28,32)/t25-/m1/s1
InChIKeyUTUAGLYJLJAXNN-RUZDIDTESA-N
XLogP4.51
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 41088187
5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 25441604
3-benzyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxophthalazine-1-carboxamide
CID 41094898
1-benzyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxopyridazine-3-carboxamide
CID 112789918
1-benzyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 41117308
1-benzyl-5-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylpyrazole-4-carboxamide
CID 43006258
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984976
5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 46493583
5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 29223249
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyridine-2-carboxamide
CID 46522817
1-benzyl-3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide
CID 134039015
1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 9042189

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide (CID 41088189) is 1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide is COc1ccc([C@@H](CNC(=O)c2c(C)nn(Cc3ccccc3)c2C)N2CCCCC2)cc1.
What is the InChIKey of 1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is UTUAGLYJLJAXNN-RUZDIDTESA-N. The full InChI is InChI=1S/C27H34N4O2/c1-20-26(21(2)31(29-20)19-22-10-6-4-7-11-22)27(32)28-18-25(30-16-8-5-9-17-30)23-12-14-24(33-3)15-13-23/h4,6-7,10-15,25H,5,8-9,16-19H2,1-3H3,(H,28,32)/t25-/m1/s1.
What are the key properties of 1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide?
1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 446.60 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 41088189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).