1-ethyl-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C17H25N5O3 — CID 70767372

IUPAC1-ethyl-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCc1cc(C(=O)N2CCC3(CC2)C(=O)NC(=O)N3CC)n(C)n1
InChIInChI=1S/C17H25N5O3/c1-4-6-12-11-13(20(3)19-12)14(23)21-9-7-17(8-10-21)15(24)18-16(25)22(17)5-2/h11H,4-10H2,1-3H3,(H,18,24,25)
InChIKeyMHBYGEPJZQAGTN-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.92
Rot. Bonds4

About 1-ethyl-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-ethyl-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 70767372) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-ethyl-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-ethyl-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID70767372
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name1-ethyl-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCc1cc(C(=O)N2CCC3(CC2)C(=O)NC(=O)N3CC)n(C)n1
InChIInChI=1S/C17H25N5O3/c1-4-6-12-11-13(20(3)19-12)14(23)21-9-7-17(8-10-21)15(24)18-16(25)22(17)5-2/h11H,4-10H2,1-3H3,(H,18,24,25)
InChIKeyMHBYGEPJZQAGTN-UHFFFAOYSA-N
XLogP0.92
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-ethyl-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione 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

N-isopropyl-1'-[(1-methyl-3-propyl-1H-pyrazol-5-yl)carbonyl]-1,4'-bipiperidine-4-carboxamide
CID 16192070
N-[[(1R,5S)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 126736699
N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
CID 126736716
3-tert-butyl-N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-methylpyrazole-5-carboxamide
CID 126736769
4-(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)-3,3-dimethylpiperazin-2-one
CID 25854652
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-3-cyclopropylpyrazole-5-carboxamide
CID 45827281
1-methyl-3-propan-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide
CID 46963969
3-Cyclohexyl-1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 47064401
1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-3-methyl-N-propylpyrrolidine-3-carboxamide
CID 49791055
N-butyl-1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-2-methylpiperidine-2-carboxamide
CID 49795438
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-propan-2-ylpyrazole-3-carboxamide
CID 51083920
1-[1-(1-Tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 53514020

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-ethyl-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 70767372) is 1-ethyl-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-ethyl-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-ethyl-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCCc1cc(C(=O)N2CCC3(CC2)C(=O)NC(=O)N3CC)n(C)n1.
What is the InChIKey of 1-ethyl-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is MHBYGEPJZQAGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-4-6-12-11-13(20(3)19-12)14(23)21-9-7-17(8-10-21)15(24)18-16(25)22(17)5-2/h11H,4-10H2,1-3H3,(H,18,24,25).
What are the key properties of 1-ethyl-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-ethyl-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 347.42 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-(1-methyl-3-propylpyrazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 70767372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).