[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone

C13H23N5O — CID 63341292

IUPAC[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCCC(CN)N1CCN(C(=O)c2ccnn2C)CC1
InChIInChI=1S/C13H23N5O/c1-3-11(10-14)17-6-8-18(9-7-17)13(19)12-4-5-15-16(12)2/h4-5,11H,3,6-10,14H2,1-2H3
InChIKeyJGDFKCFBKUQBPZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.08
Rot. Bonds4

About [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone

[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 63341292) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID63341292
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCCC(CN)N1CCN(C(=O)c2ccnn2C)CC1
InChIInChI=1S/C13H23N5O/c1-3-11(10-14)17-6-8-18(9-7-17)13(19)12-4-5-15-16(12)2/h4-5,11H,3,6-10,14H2,1-2H3
InChIKeyJGDFKCFBKUQBPZ-UHFFFAOYSA-N
XLogP-0.08
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone 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

1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110467110
[4-(1-aminobutan-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 55201001
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 63337883
[4-[2-(diethylamino)ethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 131928604
[4-(1-bromoethyl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 106839312
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 55201582
(2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride
CID 126965683
(2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 1219801
(2-methylpyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157018471
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81479698
[4-(2-aminoethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 82692044
[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 124535818

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 63341292) is [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone is CCC(CN)N1CCN(C(=O)c2ccnn2C)CC1.
What is the InChIKey of [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is JGDFKCFBKUQBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-3-11(10-14)17-6-8-18(9-7-17)13(19)12-4-5-15-16(12)2/h4-5,11H,3,6-10,14H2,1-2H3.
What are the key properties of [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 63341292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).