ethyl 1-methyl-5-[[2-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]acetyl]amino]pyrazole-4-carboxylate

C20H33N5O4 — CID 56578727

IUPACethyl 1-methyl-5-[[2-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]acetyl]amino]pyrazole-4-carboxylate
SMILESCCCC(C)NC(=O)C1CCCN(CC(=O)Nc2c(C(=O)OCC)cnn2C)C1
InChIInChI=1S/C20H33N5O4/c1-5-8-14(3)22-19(27)15-9-7-10-25(12-15)13-17(26)23-18-16(11-21-24(18)4)20(28)29-6-2/h11,14-15H,5-10,12-13H2,1-4H3,(H,22,27)(H,23,26)
InChIKeyHQLUCTKHSIMGOB-UHFFFAOYSA-N
MW407.52 g/mol
LogP1.55
Rot. Bonds9

About ethyl 1-methyl-5-[[2-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]acetyl]amino]pyrazole-4-carboxylate

ethyl 1-methyl-5-[[2-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]acetyl]amino]pyrazole-4-carboxylate (PubChem CID 56578727) has the molecular formula C20H33N5O4 and a molecular weight of 407.52 g/mol. Its IUPAC name is ethyl 1-methyl-5-[[2-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]acetyl]amino]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-[[2-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]acetyl]amino]pyrazole-4-carboxylate
PubChem CID56578727
Molecular FormulaC20H33N5O4
Molecular Weight407.52 g/mol
Exact Mass407.25
IUPAC Nameethyl 1-methyl-5-[[2-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]acetyl]amino]pyrazole-4-carboxylate
SMILESCCCC(C)NC(=O)C1CCCN(CC(=O)Nc2c(C(=O)OCC)cnn2C)C1
InChIInChI=1S/C20H33N5O4/c1-5-8-14(3)22-19(27)15-9-7-10-25(12-15)13-17(26)23-18-16(11-21-24(18)4)20(28)29-6-2/h11,14-15H,5-10,12-13H2,1-4H3,(H,22,27)(H,23,26)
InChIKeyHQLUCTKHSIMGOB-UHFFFAOYSA-N
XLogP1.55
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 1-methyl-5-[[2-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]acetyl]amino]pyrazole-4-carboxylate with MolForge

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Related Compounds

1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 49444073
(3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
CID 94378651
ethyl (3S)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylate
CID 81338447
(3R)-1-[2-oxo-2-(propylamino)ethyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94378672
ethyl 5-[[2-[4-(benzenesulfonamido)piperidin-1-yl]acetyl]amino]-1-methylpyrazole-4-carboxylate
CID 56540930
ethyl 1-methyl-5-[[2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetyl]amino]pyrazole-4-carboxylate
CID 56541036
ethyl 5-[[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-1-methylpyrazole-4-carboxylate
CID 56540961
1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 49444451
1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 43385895
ethyl 1-methyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]pyrazole-4-carboxylate
CID 124574199
ethyl 1-methyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrazole-4-carboxylate
CID 124574200
ethyl 5-[[2-[1-(4-chlorophenyl)ethyl-cyclopropylamino]acetyl]amino]-1-methylpyrazole-4-carboxylate
CID 56578952

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-[[2-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]acetyl]amino]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-5-[[2-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]acetyl]amino]pyrazole-4-carboxylate (CID 56578727) is ethyl 1-methyl-5-[[2-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]acetyl]amino]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-[[2-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]acetyl]amino]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-[[2-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]acetyl]amino]pyrazole-4-carboxylate is CCCC(C)NC(=O)C1CCCN(CC(=O)Nc2c(C(=O)OCC)cnn2C)C1.
What is the InChIKey of ethyl 1-methyl-5-[[2-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]acetyl]amino]pyrazole-4-carboxylate?
The InChIKey is HQLUCTKHSIMGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O4/c1-5-8-14(3)22-19(27)15-9-7-10-25(12-15)13-17(26)23-18-16(11-21-24(18)4)20(28)29-6-2/h11,14-15H,5-10,12-13H2,1-4H3,(H,22,27)(H,23,26).
What are the key properties of ethyl 1-methyl-5-[[2-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]acetyl]amino]pyrazole-4-carboxylate?
ethyl 1-methyl-5-[[2-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]acetyl]amino]pyrazole-4-carboxylate has a molecular weight of 407.52 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-[[2-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]acetyl]amino]pyrazole-4-carboxylate is sourced from PubChem (CID 56578727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).