ethyl 1-(6-pyrazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxylate

C16H19N5O3 — CID 71791790

IUPACethyl 1-(6-pyrazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C16H19N5O3/c1-2-24-16(23)12-6-10-20(11-7-12)15(22)13-4-5-14(19-18-13)21-9-3-8-17-21/h3-5,8-9,12H,2,6-7,10-11H2,1H3
InChIKeyHUADSMQILDHCAL-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.08
Rot. Bonds4

About ethyl 1-(6-pyrazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxylate

ethyl 1-(6-pyrazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxylate (PubChem CID 71791790) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is ethyl 1-(6-pyrazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-pyrazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxylate
PubChem CID71791790
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Nameethyl 1-(6-pyrazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C16H19N5O3/c1-2-24-16(23)12-6-10-20(11-7-12)15(22)13-4-5-14(19-18-13)21-9-3-8-17-21/h3-5,8-9,12H,2,6-7,10-11H2,1H3
InChIKeyHUADSMQILDHCAL-UHFFFAOYSA-N
XLogP1.08
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-(6-bromopyridine-2-carbonyl)piperidine-4-carboxylate
CID 103874990
ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate
CID 43216980
ethyl 1-(6-methoxypyridine-2-carbonyl)piperidine-4-carboxylate
CID 84580551
ethyl 1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidine-4-carboxylate
CID 87051265
ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate
CID 35763507
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
ethyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 90520476
ethyl 1-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 90509948
ethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate
CID 84573349
ethyl 1-(5-chloropyrazine-2-carbonyl)piperidine-4-carboxylate
CID 103803169
ethyl 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxylate
CID 137147280
ethyl 1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-4-carboxylate
CID 19591205

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-pyrazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(6-pyrazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxylate (CID 71791790) is ethyl 1-(6-pyrazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(6-pyrazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(6-pyrazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc(-n3cccn3)nn2)CC1.
What is the InChIKey of ethyl 1-(6-pyrazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxylate?
The InChIKey is HUADSMQILDHCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-2-24-16(23)12-6-10-20(11-7-12)15(22)13-4-5-14(19-18-13)21-9-3-8-17-21/h3-5,8-9,12H,2,6-7,10-11H2,1H3.
What are the key properties of ethyl 1-(6-pyrazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxylate?
ethyl 1-(6-pyrazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxylate has a molecular weight of 329.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-pyrazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 71791790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).