2-[4-[2-(3-aminopyrazol-1-yl)acetyl]piperazin-1-yl]-N-ethylacetamide

C13H22N6O2 — CID 62113895

IUPAC2-[4-[2-(3-aminopyrazol-1-yl)acetyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C(=O)Cn2ccc(N)n2)CC1
InChIInChI=1S/C13H22N6O2/c1-2-15-12(20)9-17-5-7-18(8-6-17)13(21)10-19-4-3-11(14)16-19/h3-4H,2,5-10H2,1H3,(H2,14,16)(H,15,20)
InChIKeyOLVHCVGYVMHVBB-UHFFFAOYSA-N
MW294.36 g/mol
LogP-1.25
Rot. Bonds5

About 2-[4-[2-(3-aminopyrazol-1-yl)acetyl]piperazin-1-yl]-N-ethylacetamide

2-[4-[2-(3-aminopyrazol-1-yl)acetyl]piperazin-1-yl]-N-ethylacetamide (PubChem CID 62113895) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[4-[2-(3-aminopyrazol-1-yl)acetyl]piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[2-(3-aminopyrazol-1-yl)acetyl]piperazin-1-yl]-N-ethylacetamide
PubChem CID62113895
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name2-[4-[2-(3-aminopyrazol-1-yl)acetyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C(=O)Cn2ccc(N)n2)CC1
InChIInChI=1S/C13H22N6O2/c1-2-15-12(20)9-17-5-7-18(8-6-17)13(21)10-19-4-3-11(14)16-19/h3-4H,2,5-10H2,1H3,(H2,14,16)(H,15,20)
InChIKeyOLVHCVGYVMHVBB-UHFFFAOYSA-N
XLogP-1.25
TPSA96.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 54594517
2-(3-aminopyrazol-1-yl)-1-thiomorpholin-4-ylethanone
CID 62102676
N-[1-[2-(3-aminopyrazol-1-yl)acetyl]piperidin-4-yl]butanamide
CID 62112396
2-[4-(6-aminopyridine-3-carbonyl)piperazin-1-yl]-N-ethylacetamide
CID 72857433
2-(3-aminopyrazol-1-yl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone
CID 107210649
2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843992
2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119952990
2-(3-aminopyrazol-1-yl)-N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 62113582
2-[4-(4-aminobenzoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843977
2-(3-aminopyrazol-1-yl)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
CID 55160891
2-(3-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107403471
N-ethyl-2-[4-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperazin-1-yl]acetamide
CID 55566914

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-aminopyrazol-1-yl)acetyl]piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-[2-(3-aminopyrazol-1-yl)acetyl]piperazin-1-yl]-N-ethylacetamide (CID 62113895) is 2-[4-[2-(3-aminopyrazol-1-yl)acetyl]piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[2-(3-aminopyrazol-1-yl)acetyl]piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-[2-(3-aminopyrazol-1-yl)acetyl]piperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(C(=O)Cn2ccc(N)n2)CC1.
What is the InChIKey of 2-[4-[2-(3-aminopyrazol-1-yl)acetyl]piperazin-1-yl]-N-ethylacetamide?
The InChIKey is OLVHCVGYVMHVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-2-15-12(20)9-17-5-7-18(8-6-17)13(21)10-19-4-3-11(14)16-19/h3-4H,2,5-10H2,1H3,(H2,14,16)(H,15,20).
What are the key properties of 2-[4-[2-(3-aminopyrazol-1-yl)acetyl]piperazin-1-yl]-N-ethylacetamide?
2-[4-[2-(3-aminopyrazol-1-yl)acetyl]piperazin-1-yl]-N-ethylacetamide has a molecular weight of 294.36 g/mol, XLogP of -1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-aminopyrazol-1-yl)acetyl]piperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 62113895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).