4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazine-2,6-dione

C12H17N5O3 — CID 66062261

IUPAC4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCC(C)c1[nH]nc(C(=O)N2CC(=O)NC(=O)C2C)c1N
InChIInChI=1S/C12H17N5O3/c1-5(2)9-8(13)10(16-15-9)12(20)17-4-7(18)14-11(19)6(17)3/h5-6H,4,13H2,1-3H3,(H,15,16)(H,14,18,19)
InChIKeyRWKFAACIRUDDHU-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.40
Rot. Bonds2

About 4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazine-2,6-dione

4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazine-2,6-dione (PubChem CID 66062261) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazine-2,6-dione
PubChem CID66062261
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCC(C)c1[nH]nc(C(=O)N2CC(=O)NC(=O)C2C)c1N
InChIInChI=1S/C12H17N5O3/c1-5(2)9-8(13)10(16-15-9)12(20)17-4-7(18)14-11(19)6(17)3/h5-6H,4,13H2,1-3H3,(H,15,16)(H,14,18,19)
InChIKeyRWKFAACIRUDDHU-UHFFFAOYSA-N
XLogP-0.40
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazine-2,6-dione with MolForge

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Related Compounds

4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazin-2-one
CID 63596627
4-(5-amino-2-propan-2-ylpyrimidine-4-carbonyl)-3-methylpiperazine-2,6-dione
CID 66076434
4-(5-amino-1H-indazole-3-carbonyl)-3-methylpiperazine-2,6-dione
CID 66062066
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-methylpiperazine-2,6-dione
CID 66061604
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 62075873
4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-1-methylpiperazin-2-one
CID 64682975
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 62076034
4-(3-aminothiophene-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66063821
3-methyl-4-(pyrazine-2-carbonyl)piperazine-2,6-dione
CID 66060995
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633830
4-(2-amino-3-fluoropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione
CID 105386764
3-methyl-4-(3-methyl-2-sulfanylbutanoyl)piperazine-2,6-dione
CID 107031724

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazine-2,6-dione (CID 66062261) is 4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazine-2,6-dione is CC(C)c1[nH]nc(C(=O)N2CC(=O)NC(=O)C2C)c1N.
What is the InChIKey of 4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazine-2,6-dione?
The InChIKey is RWKFAACIRUDDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-5(2)9-8(13)10(16-15-9)12(20)17-4-7(18)14-11(19)6(17)3/h5-6H,4,13H2,1-3H3,(H,15,16)(H,14,18,19).
What are the key properties of 4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazine-2,6-dione?
4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazine-2,6-dione has a molecular weight of 279.30 g/mol, XLogP of -0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66062261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).