methyl 1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate

C13H20N4O3 — CID 115533013

IUPACmethyl 1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate
SMILESCCc1[nH]nc(C(=O)N2CCCC(C(=O)OC)C2)c1N
InChIInChI=1S/C13H20N4O3/c1-3-9-10(14)11(16-15-9)12(18)17-6-4-5-8(7-17)13(19)20-2/h8H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyAJMYHCYDVFXUKO-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.58
Rot. Bonds3

About methyl 1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate

methyl 1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate (PubChem CID 115533013) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is methyl 1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate
PubChem CID115533013
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Namemethyl 1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate
SMILESCCc1[nH]nc(C(=O)N2CCCC(C(=O)OC)C2)c1N
InChIInChI=1S/C13H20N4O3/c1-3-9-10(14)11(16-15-9)12(18)17-6-4-5-8(7-17)13(19)20-2/h8H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyAJMYHCYDVFXUKO-UHFFFAOYSA-N
XLogP0.58
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-5-ethyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 55211374
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(azocan-1-yl)methanone
CID 62082506
(4-amino-5-ethyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 62081266
(4-amino-5-ethyl-1H-pyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62083228
ethyl 1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate
CID 62081053
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-methylazepan-1-yl)methanone
CID 63624225
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-5-ethyl-1H-pyrazol-3-yl)methanone
CID 62081826
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677537
(4-amino-5-ethyl-1H-pyrazol-3-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796732
methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate
CID 78918912
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2-methylmorpholin-4-yl)methanone
CID 55033901
methyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 78919199

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate (CID 115533013) is methyl 1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate is CCc1[nH]nc(C(=O)N2CCCC(C(=O)OC)C2)c1N.
What is the InChIKey of methyl 1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is AJMYHCYDVFXUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-9-10(14)11(16-15-9)12(18)17-6-4-5-8(7-17)13(19)20-2/h8H,3-7,14H2,1-2H3,(H,15,16).
What are the key properties of methyl 1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate?
methyl 1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 115533013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).