7-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C13H17N5O3 — CID 103894152

IUPAC7-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCCc1nn(C)cc1C(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C13H17N5O3/c1-3-9-8(6-17(2)16-9)10(19)18-5-4-13(7-18)11(20)14-12(21)15-13/h6H,3-5,7H2,1-2H3,(H2,14,15,20,21)
InChIKeyRPUGTCVSDSEBEM-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.59
Rot. Bonds2

About 7-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

7-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 103894152) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 7-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID103894152
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name7-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCCc1nn(C)cc1C(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C13H17N5O3/c1-3-9-8(6-17(2)16-9)10(19)18-5-4-13(7-18)11(20)14-12(21)15-13/h6H,3-5,7H2,1-2H3,(H2,14,15,20,21)
InChIKeyRPUGTCVSDSEBEM-UHFFFAOYSA-N
XLogP-0.59
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-(1,3-dimethylpyrazole-4-carbonyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 102801969
N,N-diethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide
CID 78996102
(3,3-dimethylpiperazin-1-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 103894192
1-(3-ethyl-1-methylpyrazole-4-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982482
(3-ethyl-1-methylpyrazol-4-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 102811050
7-(5-bromo-2-methylbenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 79012195
7-(3,5-dibromobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 103908737
7-(5-bromo-2-fluorobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78995962
7-(2-bromofuran-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 106854189
7-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996446
7-pentanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996234
7-(1H-pyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996239

Frequently Asked Questions

What is the IUPAC name of 7-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 103894152) is 7-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is CCc1nn(C)cc1C(=O)N1CCC2(C1)NC(=O)NC2=O.
What is the InChIKey of 7-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is RPUGTCVSDSEBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-3-9-8(6-17(2)16-9)10(19)18-5-4-13(7-18)11(20)14-12(21)15-13/h6H,3-5,7H2,1-2H3,(H2,14,15,20,21).
What are the key properties of 7-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 291.31 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 103894152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).