4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)piperazine-2,6-dione

C10H13N5O3 — CID 66123250

IUPAC4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)piperazine-2,6-dione
SMILESCc1nn(C)c(C(=O)N2CC(=O)NC(=O)C2)c1N
InChIInChI=1S/C10H13N5O3/c1-5-8(11)9(14(2)13-5)10(18)15-3-6(16)12-7(17)4-15/h3-4,11H2,1-2H3,(H,12,16,17)
InChIKeyVTIDUQPWVZYJOA-UHFFFAOYSA-N
MW251.25 g/mol
LogP-1.59
Rot. Bonds1

About 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)piperazine-2,6-dione

4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)piperazine-2,6-dione (PubChem CID 66123250) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)piperazine-2,6-dione
PubChem CID66123250
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC Name4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)piperazine-2,6-dione
SMILESCc1nn(C)c(C(=O)N2CC(=O)NC(=O)C2)c1N
InChIInChI=1S/C10H13N5O3/c1-5-8(11)9(14(2)13-5)10(18)15-3-6(16)12-7(17)4-15/h3-4,11H2,1-2H3,(H,12,16,17)
InChIKeyVTIDUQPWVZYJOA-UHFFFAOYSA-N
XLogP-1.59
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79189036
4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 66121842
(4-amino-1,3-dimethylpyrazol-5-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 66125351
(4-amino-1,3-dimethylpyrazol-5-yl)-(4-methylazepan-1-yl)methanone
CID 66125758
(4-amino-1,3-dimethylpyrazol-5-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 66123987
(4-amino-1,3-dimethylpyrazol-5-yl)-(4-ethoxypiperidin-1-yl)methanone
CID 66125350
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1,3-dimethylpyrazol-5-yl)methanone
CID 66122825
(4-amino-1,3-dimethylpyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 66124763
4-(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-2-one
CID 66124902
(4-amino-1,3-dimethylpyrazol-5-yl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 66122826
4-(1,5-dimethylpyrazole-4-carbonyl)piperazine-2,6-dione
CID 66085561
2,2-difluoroethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
CID 66125010

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)piperazine-2,6-dione?
The IUPAC name of 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)piperazine-2,6-dione (CID 66123250) is 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)piperazine-2,6-dione is Cc1nn(C)c(C(=O)N2CC(=O)NC(=O)C2)c1N.
What is the InChIKey of 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)piperazine-2,6-dione?
The InChIKey is VTIDUQPWVZYJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3/c1-5-8(11)9(14(2)13-5)10(18)15-3-6(16)12-7(17)4-15/h3-4,11H2,1-2H3,(H,12,16,17).
What are the key properties of 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)piperazine-2,6-dione?
4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)piperazine-2,6-dione has a molecular weight of 251.25 g/mol, XLogP of -1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 66123250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).