ethyl 4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine-1-carboxylate

C16H21N5O2 — CID 56822814

IUPACethyl 4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cn2nccc2-c2cccnc2)CC1
InChIInChI=1S/C16H21N5O2/c1-2-23-16(22)20-10-8-19(9-11-20)13-21-15(5-7-18-21)14-4-3-6-17-12-14/h3-7,12H,2,8-11,13H2,1H3
InChIKeyUQUXLDYJNORBEL-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.68
Rot. Bonds4

About ethyl 4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine-1-carboxylate

ethyl 4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine-1-carboxylate (PubChem CID 56822814) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is ethyl 4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine-1-carboxylate
PubChem CID56822814
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Nameethyl 4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cn2nccc2-c2cccnc2)CC1
InChIInChI=1S/C16H21N5O2/c1-2-23-16(22)20-10-8-19(9-11-20)13-21-15(5-7-18-21)14-4-3-6-17-12-14/h3-7,12H,2,8-11,13H2,1H3
InChIKeyUQUXLDYJNORBEL-UHFFFAOYSA-N
XLogP1.68
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazine-1-carboxylate
CID 70671638
ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate
CID 4880874
ethyl 4-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoyl]piperazine-1-carboxylate
CID 110648887
ethyl 4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazine-1-carboxylate
CID 133462646
benzyl 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate
CID 110709124
ethyl 4-[2-oxo-2-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]anilino]ethyl]piperazine-1-carboxylate
CID 11503566
ethyl 4-(pyridine-3-carbonylcarbamothioyl)piperazine-1-carboxylate
CID 778911
ethyl 4-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carbonyl]piperazine-1-carboxylate
CID 7316418
ethyl 4-[[4-methyl-3-(phenoxymethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate
CID 1043111
ethyl 4-[(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 3520150
3-(4-ethoxycarbonylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 107877070
ethyl 4-[2-(2-methyl-5-phenylpyrrol-1-yl)ethyl]piperazine-1-carboxylate
CID 131854405

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine-1-carboxylate (CID 56822814) is ethyl 4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(Cn2nccc2-c2cccnc2)CC1.
What is the InChIKey of ethyl 4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine-1-carboxylate?
The InChIKey is UQUXLDYJNORBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-2-23-16(22)20-10-8-19(9-11-20)13-21-15(5-7-18-21)14-4-3-6-17-12-14/h3-7,12H,2,8-11,13H2,1H3.
What are the key properties of ethyl 4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine-1-carboxylate?
ethyl 4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine-1-carboxylate has a molecular weight of 315.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 56822814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).