methyl 2-[4-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetate

C13H21N5O3 — CID 62080955

IUPACmethyl 2-[4-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetate
SMILESCCc1[nH]nc(C(=O)N2CCN(CC(=O)OC)CC2)c1N
InChIInChI=1S/C13H21N5O3/c1-3-9-11(14)12(16-15-9)13(20)18-6-4-17(5-7-18)8-10(19)21-2/h3-8,14H2,1-2H3,(H,15,16)
InChIKeyYKBRTSURRRRRFX-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.51
Rot. Bonds4

About methyl 2-[4-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetate

methyl 2-[4-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetate (PubChem CID 62080955) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 2-[4-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetate
PubChem CID62080955
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Namemethyl 2-[4-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetate
SMILESCCc1[nH]nc(C(=O)N2CCN(CC(=O)OC)CC2)c1N
InChIInChI=1S/C13H21N5O3/c1-3-9-11(14)12(16-15-9)13(20)18-6-4-17(5-7-18)8-10(19)21-2/h3-8,14H2,1-2H3,(H,15,16)
InChIKeyYKBRTSURRRRRFX-UHFFFAOYSA-N
XLogP-0.51
TPSA104.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4-amino-5-ethyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 62081266
(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
methyl 1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate
CID 115533013
(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
1-[4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 62075601
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2-methylmorpholin-4-yl)methanone
CID 55033901
methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955204
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 63216391
(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)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64583738

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetate (CID 62080955) is methyl 2-[4-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetate is CCc1[nH]nc(C(=O)N2CCN(CC(=O)OC)CC2)c1N.
What is the InChIKey of methyl 2-[4-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetate?
The InChIKey is YKBRTSURRRRRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-3-9-11(14)12(16-15-9)13(20)18-6-4-17(5-7-18)8-10(19)21-2/h3-8,14H2,1-2H3,(H,15,16).
What are the key properties of methyl 2-[4-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetate?
methyl 2-[4-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetate has a molecular weight of 295.34 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetate is sourced from PubChem (CID 62080955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).