2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone

C10H17N5O — CID 54594517

IUPAC2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cn2ccc(N)n2)CC1
InChIInChI=1S/C10H17N5O/c1-13-4-6-14(7-5-13)10(16)8-15-3-2-9(11)12-15/h2-3H,4-8H2,1H3,(H2,11,12)
InChIKeyZRQVEJLAMHOEKX-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.76
Rot. Bonds2

About 2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone

2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 54594517) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID54594517
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cn2ccc(N)n2)CC1
InChIInChI=1S/C10H17N5O/c1-13-4-6-14(7-5-13)10(16)8-15-3-2-9(11)12-15/h2-3H,4-8H2,1H3,(H2,11,12)
InChIKeyZRQVEJLAMHOEKX-UHFFFAOYSA-N
XLogP-0.76
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone (CID 54594517) is 2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)Cn2ccc(N)n2)CC1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is ZRQVEJLAMHOEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-13-4-6-14(7-5-13)10(16)8-15-3-2-9(11)12-15/h2-3H,4-8H2,1H3,(H2,11,12).
What are the key properties of 2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 223.28 g/mol, XLogP of -0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 54594517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).