4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1,3-diazinane-5-carboxamide

C15H12F3N5O4 — CID 155903294

IUPAC4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1,3-diazinane-5-carboxamide
SMILESO=C1NC(=O)C(C(=O)Nc2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2)C(O)N1
InChIInChI=1S/C15H12F3N5O4/c16-15(17,18)9-5-8(22-23-9)6-1-3-7(4-2-6)19-11(24)10-12(25)20-14(27)21-13(10)26/h1-5,10,12,25H,(H,19,24)(H,22,23)(H2,20,21,26,27)
InChIKeyWOTMUBAGWOWZLC-UHFFFAOYSA-N
MW383.29 g/mol
LogP0.81
Rot. Bonds3

About 4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1,3-diazinane-5-carboxamide

4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1,3-diazinane-5-carboxamide (PubChem CID 155903294) has the molecular formula C15H12F3N5O4 and a molecular weight of 383.29 g/mol. Its IUPAC name is 4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1,3-diazinane-5-carboxamide
PubChem CID155903294
Molecular FormulaC15H12F3N5O4
Molecular Weight383.29 g/mol
Exact Mass383.08
IUPAC Name4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1,3-diazinane-5-carboxamide
SMILESO=C1NC(=O)C(C(=O)Nc2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2)C(O)N1
InChIInChI=1S/C15H12F3N5O4/c16-15(17,18)9-5-8(22-23-9)6-1-3-7(4-2-6)19-11(24)10-12(25)20-14(27)21-13(10)26/h1-5,10,12,25H,(H,19,24)(H,22,23)(H2,20,21,26,27)
InChIKeyWOTMUBAGWOWZLC-UHFFFAOYSA-N
XLogP0.81
TPSA136.21 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 50.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-2H-triazol-4-yl]phenyl]-1,3-diazinane-5-carboxamide
CID 155903286
N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide
CID 167761264
N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 166363089
4-hydroxy-2,6-dioxo-N-[3-(2H-triazol-4-yl)phenyl]-1,3-diazinane-5-carboxamide
CID 155903283
2-(2-oxoazepan-4-yl)-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide
CID 167863574
3-hydroxy-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide
CID 167975582
[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol
CID 142636961
methyl 2-hydroxy-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzoate
CID 136609734
N,N-dimethyl-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide;ethane
CID 143534021
3-(4-propoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 142669971
2,2-dimethyl-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide
CID 70518829
N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]cyclobutanecarboxamide
CID 155106413

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1,3-diazinane-5-carboxamide?
The IUPAC name of 4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1,3-diazinane-5-carboxamide (CID 155903294) is 4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1,3-diazinane-5-carboxamide.
What is the SMILES notation for 4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1,3-diazinane-5-carboxamide?
The canonical SMILES for 4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1,3-diazinane-5-carboxamide is O=C1NC(=O)C(C(=O)Nc2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2)C(O)N1.
What is the InChIKey of 4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1,3-diazinane-5-carboxamide?
The InChIKey is WOTMUBAGWOWZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O4/c16-15(17,18)9-5-8(22-23-9)6-1-3-7(4-2-6)19-11(24)10-12(25)20-14(27)21-13(10)26/h1-5,10,12,25H,(H,19,24)(H,22,23)(H2,20,21,26,27).
What are the key properties of 4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1,3-diazinane-5-carboxamide?
4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1,3-diazinane-5-carboxamide has a molecular weight of 383.29 g/mol, XLogP of 0.81, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 155903294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).