4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-3-methylpiperazine-2,6-dione

C12H19N5O2 — CID 66062479

IUPAC4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-3-methylpiperazine-2,6-dione
SMILESCCCn1nc(C)c(N)c1N1CC(=O)NC(=O)C1C
InChIInChI=1S/C12H19N5O2/c1-4-5-17-12(10(13)7(2)15-17)16-6-9(18)14-11(19)8(16)3/h8H,4-6,13H2,1-3H3,(H,14,18,19)
InChIKeyIRADYFHGQJOCSU-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.04
Rot. Bonds3

About 4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-3-methylpiperazine-2,6-dione

4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-3-methylpiperazine-2,6-dione (PubChem CID 66062479) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-3-methylpiperazine-2,6-dione
PubChem CID66062479
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-3-methylpiperazine-2,6-dione
SMILESCCCn1nc(C)c(N)c1N1CC(=O)NC(=O)C1C
InChIInChI=1S/C12H19N5O2/c1-4-5-17-12(10(13)7(2)15-17)16-6-9(18)14-11(19)8(16)3/h8H,4-6,13H2,1-3H3,(H,14,18,19)
InChIKeyIRADYFHGQJOCSU-UHFFFAOYSA-N
XLogP0.04
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.04
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-(4-amino-1-ethyl-3-methylpyrazol-5-yl)-3-methylpiperazine-2,6-dione
CID 66061316
5-(2,3-dimethylpiperidin-1-yl)-3-methyl-1-propylpyrazol-4-amine
CID 66027460
1,3-dimethyl-5-(2-methyl-3,5-dioxopiperazin-1-yl)pyrazole-4-carbaldehyde
CID 66060782
5-(azetidin-1-yl)-3-methyl-1-propylpyrazol-4-amine
CID 130546598
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine
CID 66027456
5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methyl-1-propylpyrazol-4-amine
CID 66027455
5-(azocan-1-yl)-3-methyl-1-propylpyrazol-4-amine
CID 66028751
4-(3-amino-4-methyl-2-pyridinyl)-3-methylpiperazine-2,6-dione
CID 66063648
1-(4-amino-3-methyl-1-propylpyrazol-5-yl)-N-methylpiperidine-2-carboxamide
CID 66029186
[1-(4-amino-3-methyl-1-propylpyrazol-5-yl)piperidin-4-yl]methanol
CID 66029931
4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-3-ethylpiperazine-2,6-dione
CID 66067136
4-(3-amino-5-methyl-2-pyridinyl)-3-methylpiperazine-2,6-dione
CID 66278903

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-3-methylpiperazine-2,6-dione (CID 66062479) is 4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-3-methylpiperazine-2,6-dione is CCCn1nc(C)c(N)c1N1CC(=O)NC(=O)C1C.
What is the InChIKey of 4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-3-methylpiperazine-2,6-dione?
The InChIKey is IRADYFHGQJOCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-4-5-17-12(10(13)7(2)15-17)16-6-9(18)14-11(19)8(16)3/h8H,4-6,13H2,1-3H3,(H,14,18,19).
What are the key properties of 4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-3-methylpiperazine-2,6-dione?
4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-3-methylpiperazine-2,6-dione has a molecular weight of 265.32 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66062479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).