9-(1-methylpyrazole-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione;molecular hydrogen

C14H20N4O3 — CID 155579337

IUPAC9-(1-methylpyrazole-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione;molecular hydrogen
SMILESCn1cc(C(=O)N2CCC3(CC2)CC(=O)NC(=O)C3)cn1.[H][H]
InChIInChI=1S/C14H18N4O3.H2/c1-17-9-10(8-15-17)13(21)18-4-2-14(3-5-18)6-11(19)16-12(20)7-14;/h8-9H,2-7H2,1H3,(H,16,19,20);1H
InChIKeyITTPFTRHAHNGBT-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.33
Rot. Bonds1

About 9-(1-methylpyrazole-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione;molecular hydrogen

9-(1-methylpyrazole-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione;molecular hydrogen (PubChem CID 155579337) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 9-(1-methylpyrazole-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione;molecular hydrogen.

Molecular Properties

Compound Name9-(1-methylpyrazole-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione;molecular hydrogen
PubChem CID155579337
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name9-(1-methylpyrazole-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione;molecular hydrogen
SMILESCn1cc(C(=O)N2CCC3(CC2)CC(=O)NC(=O)C3)cn1.[H][H]
InChIInChI=1S/C14H18N4O3.H2/c1-17-9-10(8-15-17)13(21)18-4-2-14(3-5-18)6-11(19)16-12(20)7-14;/h8-9H,2-7H2,1H3,(H,16,19,20);1H
InChIKeyITTPFTRHAHNGBT-UHFFFAOYSA-N
XLogP0.33
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-(1-methylpyrazole-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
9-(2-methylpyridine-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 155579356
(2R)-2-[9-(1-methylpyrazole-4-carbonyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
CID 97138499
1-[(3S)-3-(hydroxymethyl)-3-methyl-8-(1-methylpyrazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 124971076
8-(1-methylpyrazole-4-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one
CID 97493756
1-(cyclopropylmethyl)-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493786
2-ethyl-9-(1-methylpyrazole-4-carbonyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72902995
(3-hydroxyazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 63105085
[4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 113238255
1-benzyl-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493911
3-hexyl-8-(1-methylpyrazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70716389
(3-aminoazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 63755993

Frequently Asked Questions

What is the IUPAC name of 9-(1-methylpyrazole-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione;molecular hydrogen?
The IUPAC name of 9-(1-methylpyrazole-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione;molecular hydrogen (CID 155579337) is 9-(1-methylpyrazole-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione;molecular hydrogen.
What is the SMILES notation for 9-(1-methylpyrazole-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione;molecular hydrogen?
The canonical SMILES for 9-(1-methylpyrazole-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione;molecular hydrogen is Cn1cc(C(=O)N2CCC3(CC2)CC(=O)NC(=O)C3)cn1.[H][H].
What is the InChIKey of 9-(1-methylpyrazole-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione;molecular hydrogen?
The InChIKey is ITTPFTRHAHNGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3.H2/c1-17-9-10(8-15-17)13(21)18-4-2-14(3-5-18)6-11(19)16-12(20)7-14;/h8-9H,2-7H2,1H3,(H,16,19,20);1H.
What are the key properties of 9-(1-methylpyrazole-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione;molecular hydrogen?
9-(1-methylpyrazole-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione;molecular hydrogen has a molecular weight of 292.34 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-methylpyrazole-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione;molecular hydrogen is sourced from PubChem (CID 155579337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).