4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione

C11H15N5O3 — CID 66084844

IUPAC4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione
SMILESCCCc1[nH]nc(C(=O)N2CC(=O)NC(=O)C2)c1N
InChIInChI=1S/C11H15N5O3/c1-2-3-6-9(12)10(15-14-6)11(19)16-4-7(17)13-8(18)5-16/h2-5,12H2,1H3,(H,14,15)(H,13,17,18)
InChIKeyRNWZHQRKYNBCFR-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.96
Rot. Bonds3

About 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione

4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione (PubChem CID 66084844) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione
PubChem CID66084844
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione
SMILESCCCc1[nH]nc(C(=O)N2CC(=O)NC(=O)C2)c1N
InChIInChI=1S/C11H15N5O3/c1-2-3-6-9(12)10(15-14-6)11(19)16-4-7(17)13-8(18)5-16/h2-5,12H2,1H3,(H,14,15)(H,13,17,18)
InChIKeyRNWZHQRKYNBCFR-UHFFFAOYSA-N
XLogP-0.96
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 62075601
(4-amino-5-propyl-1H-pyrazol-3-yl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114172204
4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione
CID 66083670
(4-amino-5-propyl-1H-pyrazol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114407210
(4-amino-5-ethyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 62081266
(4-amino-5-ethyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 55211374
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(azocan-1-yl)methanone
CID 62082506
(4-amino-5-propyl-1H-pyrazol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 62075457
4-amino-N,N-diethyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075271
(4-amino-5-propyl-1H-pyrazol-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 62077251
4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 115405291
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-amino-5-propyl-1H-pyrazol-3-yl)methanone
CID 62077104

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione?
The IUPAC name of 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione (CID 66084844) is 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione is CCCc1[nH]nc(C(=O)N2CC(=O)NC(=O)C2)c1N.
What is the InChIKey of 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione?
The InChIKey is RNWZHQRKYNBCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-2-3-6-9(12)10(15-14-6)11(19)16-4-7(17)13-8(18)5-16/h2-5,12H2,1H3,(H,14,15)(H,13,17,18).
What are the key properties of 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione?
4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione has a molecular weight of 265.27 g/mol, XLogP of -0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 66084844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).