ethyl 1-(5-ethyl-1-methyl-3-propylpyrazole-4-carbonyl)piperidine-3-carboxylate

C18H29N3O3 — CID 24712499

IUPACethyl 1-(5-ethyl-1-methyl-3-propylpyrazole-4-carbonyl)piperidine-3-carboxylate
SMILESCCCc1nn(C)c(CC)c1C(=O)N1CCCC(C(=O)OCC)C1
InChIInChI=1S/C18H29N3O3/c1-5-9-14-16(15(6-2)20(4)19-14)17(22)21-11-8-10-13(12-21)18(23)24-7-3/h13H,5-12H2,1-4H3
InChIKeyPQQKUABARGNPAB-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.35
Rot. Bonds6

About ethyl 1-(5-ethyl-1-methyl-3-propylpyrazole-4-carbonyl)piperidine-3-carboxylate

ethyl 1-(5-ethyl-1-methyl-3-propylpyrazole-4-carbonyl)piperidine-3-carboxylate (PubChem CID 24712499) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is ethyl 1-(5-ethyl-1-methyl-3-propylpyrazole-4-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-ethyl-1-methyl-3-propylpyrazole-4-carbonyl)piperidine-3-carboxylate
PubChem CID24712499
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Nameethyl 1-(5-ethyl-1-methyl-3-propylpyrazole-4-carbonyl)piperidine-3-carboxylate
SMILESCCCc1nn(C)c(CC)c1C(=O)N1CCCC(C(=O)OCC)C1
InChIInChI=1S/C18H29N3O3/c1-5-9-14-16(15(6-2)20(4)19-14)17(22)21-11-8-10-13(12-21)18(23)24-7-3/h13H,5-12H2,1-4H3
InChIKeyPQQKUABARGNPAB-UHFFFAOYSA-N
XLogP2.35
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-ethyl-1-methyl-3-propylpyrazole-4-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(5-ethyl-1-methyl-3-propylpyrazole-4-carbonyl)piperidine-3-carboxylate (CID 24712499) is ethyl 1-(5-ethyl-1-methyl-3-propylpyrazole-4-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(5-ethyl-1-methyl-3-propylpyrazole-4-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(5-ethyl-1-methyl-3-propylpyrazole-4-carbonyl)piperidine-3-carboxylate is CCCc1nn(C)c(CC)c1C(=O)N1CCCC(C(=O)OCC)C1.
What is the InChIKey of ethyl 1-(5-ethyl-1-methyl-3-propylpyrazole-4-carbonyl)piperidine-3-carboxylate?
The InChIKey is PQQKUABARGNPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-5-9-14-16(15(6-2)20(4)19-14)17(22)21-11-8-10-13(12-21)18(23)24-7-3/h13H,5-12H2,1-4H3.
What are the key properties of ethyl 1-(5-ethyl-1-methyl-3-propylpyrazole-4-carbonyl)piperidine-3-carboxylate?
ethyl 1-(5-ethyl-1-methyl-3-propylpyrazole-4-carbonyl)piperidine-3-carboxylate has a molecular weight of 335.45 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-ethyl-1-methyl-3-propylpyrazole-4-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 24712499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).