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

C11H13N5O3 — CID 66083670

IUPAC4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione
SMILESNc1c(C(=O)N2CC(=O)NC(=O)C2)n[nH]c1C1CC1
InChIInChI=1S/C11H13N5O3/c12-8-9(5-1-2-5)14-15-10(8)11(19)16-3-6(17)13-7(18)4-16/h5H,1-4,12H2,(H,14,15)(H,13,17,18)
InChIKeyFMFJTCZKHDNVNN-UHFFFAOYSA-N
MW263.26 g/mol
LogP-1.03
Rot. Bonds2

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

4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione (PubChem CID 66083670) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione
PubChem CID66083670
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione
SMILESNc1c(C(=O)N2CC(=O)NC(=O)C2)n[nH]c1C1CC1
InChIInChI=1S/C11H13N5O3/c12-8-9(5-1-2-5)14-15-10(8)11(19)16-3-6(17)13-7(18)4-16/h5H,1-4,12H2,(H,14,15)(H,13,17,18)
InChIKeyFMFJTCZKHDNVNN-UHFFFAOYSA-N
XLogP-1.03
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-1.03
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

(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 62075958
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 62204451
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 55034216
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102742694
4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione
CID 66084844
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211742
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 62078266
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677536
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107209753
4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)morpholine-2-carbonitrile
CID 79674073
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114407510
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83217635

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione?
The IUPAC name of 4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione (CID 66083670) is 4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione is Nc1c(C(=O)N2CC(=O)NC(=O)C2)n[nH]c1C1CC1.
What is the InChIKey of 4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione?
The InChIKey is FMFJTCZKHDNVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c12-8-9(5-1-2-5)14-15-10(8)11(19)16-3-6(17)13-7(18)4-16/h5H,1-4,12H2,(H,14,15)(H,13,17,18).
What are the key properties of 4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione?
4-(4-amino-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione has a molecular weight of 263.26 g/mol, XLogP of -1.03, 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-cyclopropyl-1H-pyrazole-3-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 66083670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).