4-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-3,3-dimethylpiperazin-2-one

C12H21N5O — CID 63594710

IUPAC4-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-3,3-dimethylpiperazin-2-one
SMILESCn1cc(C(CN)N2CCNC(=O)C2(C)C)cn1
InChIInChI=1S/C12H21N5O/c1-12(2)11(18)14-4-5-17(12)10(6-13)9-7-15-16(3)8-9/h7-8,10H,4-6,13H2,1-3H3,(H,14,18)
InChIKeyASNJJQOIOMZNEE-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.37
Rot. Bonds3

About 4-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-3,3-dimethylpiperazin-2-one

4-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-3,3-dimethylpiperazin-2-one (PubChem CID 63594710) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-3,3-dimethylpiperazin-2-one
PubChem CID63594710
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-3,3-dimethylpiperazin-2-one
SMILESCn1cc(C(CN)N2CCNC(=O)C2(C)C)cn1
InChIInChI=1S/C12H21N5O/c1-12(2)11(18)14-4-5-17(12)10(6-13)9-7-15-16(3)8-9/h7-8,10H,4-6,13H2,1-3H3,(H,14,18)
InChIKeyASNJJQOIOMZNEE-UHFFFAOYSA-N
XLogP-0.37
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-3,3-dimethylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-aminobutan-2-yl)-3,3-dimethylpiperazin-2-one
CID 63594571
2-(4,4-diethylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 63157076
4-(2-amino-1-pyridin-4-ylbutyl)-3,3-dimethylpiperazin-2-one
CID 63594887
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
4-(2-aminoethyl)-3,3-dimethylpiperazin-2-one
CID 63596626
4-[2-amino-1-(2-chlorophenyl)propyl]-3,3-dimethylpiperazin-2-one
CID 63595749
4-[2-amino-1-(4-fluorophenyl)propyl]-3,3-dimethylpiperazin-2-one
CID 63594889
4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one
CID 63595234
2-(1-methylpyrazol-4-yl)-2-(2-oxoimidazolidin-1-yl)acetic acid
CID 115288840
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylacetic acid
CID 63606639
1-[1-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanol
CID 112624618
4-(3-amino-2-phenylpropyl)-3,3-dimethylpiperazin-2-one
CID 55215724

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-3,3-dimethylpiperazin-2-one (CID 63594710) is 4-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-3,3-dimethylpiperazin-2-one is Cn1cc(C(CN)N2CCNC(=O)C2(C)C)cn1.
What is the InChIKey of 4-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is ASNJJQOIOMZNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-12(2)11(18)14-4-5-17(12)10(6-13)9-7-15-16(3)8-9/h7-8,10H,4-6,13H2,1-3H3,(H,14,18).
What are the key properties of 4-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-3,3-dimethylpiperazin-2-one?
4-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 251.33 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63594710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).