3-fluoro-N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide

C18H22FN5O2 — CID 78714649

IUPAC3-fluoro-N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
SMILESCCCC1CC(=O)NC(n2nc(C)cc2NC(=O)c2cccc(F)c2)N1
InChIInChI=1S/C18H22FN5O2/c1-3-5-14-10-16(25)22-18(20-14)24-15(8-11(2)23-24)21-17(26)12-6-4-7-13(19)9-12/h4,6-9,14,18,20H,3,5,10H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyXJTFHRBALAMLEU-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.32
Rot. Bonds5

About 3-fluoro-N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide

3-fluoro-N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide (PubChem CID 78714649) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is 3-fluoro-N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
PubChem CID78714649
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name3-fluoro-N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
SMILESCCCC1CC(=O)NC(n2nc(C)cc2NC(=O)c2cccc(F)c2)N1
InChIInChI=1S/C18H22FN5O2/c1-3-5-14-10-16(25)22-18(20-14)24-15(8-11(2)23-24)21-17(26)12-6-4-7-13(19)9-12/h4,6-9,14,18,20H,3,5,10H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyXJTFHRBALAMLEU-UHFFFAOYSA-N
XLogP2.32
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
CID 73339901
N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-fluoro-5-methylbenzamide
CID 172652755
N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]adamantane-1-carboxamide
CID 78714584
2-(2-methyl-1H-indol-3-yl)-N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]-2-oxoacetamide
CID 78714822
N'-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-N-[(4-fluorophenyl)methyl]oxamide
CID 73339871
5-bromo-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide
CID 78714437
2-chloro-6-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
CID 78713973
N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide
CID 78714002
N-[2-(1H-indol-3-yl)ethyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
CID 73339912
2-ethoxy-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 74711438
N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 78715484
1-(3,4-dichlorophenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea
CID 74924627

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide (CID 78714649) is 3-fluoro-N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide is CCCC1CC(=O)NC(n2nc(C)cc2NC(=O)c2cccc(F)c2)N1.
What is the InChIKey of 3-fluoro-N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide?
The InChIKey is XJTFHRBALAMLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c1-3-5-14-10-16(25)22-18(20-14)24-15(8-11(2)23-24)21-17(26)12-6-4-7-13(19)9-12/h4,6-9,14,18,20H,3,5,10H2,1-2H3,(H,21,26)(H,22,25).
What are the key properties of 3-fluoro-N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide?
3-fluoro-N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide has a molecular weight of 359.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 78714649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).