2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide

C15H18F3N5O3 — CID 52792993

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
SMILESCc1c(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)n[nH]c1C(F)(F)F
InChIInChI=1S/C15H18F3N5O3/c1-8-10(15(16,17)18)21-22-11(8)19-9(24)7-23-12(25)14(20-13(23)26)5-3-2-4-6-14/h2-7H2,1H3,(H,20,26)(H2,19,21,22,24)
InChIKeyMFGAIOODQIEPOA-UHFFFAOYSA-N
MW373.34 g/mol
LogP1.93
Rot. Bonds3

About 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide (PubChem CID 52792993) has the molecular formula C15H18F3N5O3 and a molecular weight of 373.34 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
PubChem CID52792993
Molecular FormulaC15H18F3N5O3
Molecular Weight373.34 g/mol
Exact Mass373.14
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
SMILESCc1c(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)n[nH]c1C(F)(F)F
InChIInChI=1S/C15H18F3N5O3/c1-8-10(15(16,17)18)21-22-11(8)19-9(24)7-23-12(25)14(20-13(23)26)5-3-2-4-6-14/h2-7H2,1H3,(H,20,26)(H2,19,21,22,24)
InChIKeyMFGAIOODQIEPOA-UHFFFAOYSA-N
XLogP1.93
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide (CID 52792993) is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide is Cc1c(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)n[nH]c1C(F)(F)F.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is MFGAIOODQIEPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O3/c1-8-10(15(16,17)18)21-22-11(8)19-9(24)7-23-12(25)14(20-13(23)26)5-3-2-4-6-14/h2-7H2,1H3,(H,20,26)(H2,19,21,22,24).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 373.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 52792993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).