4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazin-2-one

C12H19N5O2 — CID 63596627

IUPAC4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazin-2-one
SMILESCC(C)c1[nH]nc(C(=O)N2CCNC(=O)C2C)c1N
InChIInChI=1S/C12H19N5O2/c1-6(2)9-8(13)10(16-15-9)12(19)17-5-4-14-11(18)7(17)3/h6-7H,4-5,13H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyFBAVFGGTFQFFIL-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.08
Rot. Bonds2

About 4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazin-2-one

4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazin-2-one (PubChem CID 63596627) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazin-2-one
PubChem CID63596627
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazin-2-one
SMILESCC(C)c1[nH]nc(C(=O)N2CCNC(=O)C2C)c1N
InChIInChI=1S/C12H19N5O2/c1-6(2)9-8(13)10(16-15-9)12(19)17-5-4-14-11(18)7(17)3/h6-7H,4-5,13H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyFBAVFGGTFQFFIL-UHFFFAOYSA-N
XLogP0.08
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazine-2,6-dione
CID 66062261
4-(3-hydroxypyridine-2-carbonyl)-3-methylpiperazin-2-one
CID 63607605
4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one
CID 63606378
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 62076034
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633830
3-methyl-4-(2-sulfanylpropanoyl)piperazin-2-one
CID 107029810
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107209805
(3S)-4-(4-bromo-5-methyl-1H-pyrazole-3-carbonyl)-3-methyl-1,4-diazepan-2-one
CID 136588024
5-(2-methyl-3-oxopiperazine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120685364
4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-1-methylpiperazin-2-one
CID 64682975
4-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-2-one
CID 81241204
4-acetyl-3-methylpiperazin-2-one
CID 13190467

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazin-2-one (CID 63596627) is 4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazin-2-one is CC(C)c1[nH]nc(C(=O)N2CCNC(=O)C2C)c1N.
What is the InChIKey of 4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazin-2-one?
The InChIKey is FBAVFGGTFQFFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-6(2)9-8(13)10(16-15-9)12(19)17-5-4-14-11(18)7(17)3/h6-7H,4-5,13H2,1-3H3,(H,14,18)(H,15,16).
What are the key properties of 4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazin-2-one?
4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazin-2-one has a molecular weight of 265.32 g/mol, XLogP of 0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 63596627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).