N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-fluoro-5-methylbenzamide

C18H22FN5O2 — CID 172652755

IUPACN-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-fluoro-5-methylbenzamide
SMILESCCC1CC(=O)NC(n2nc(C)cc2NC(=O)c2cc(C)ccc2F)N1
InChIInChI=1S/C18H22FN5O2/c1-4-12-9-16(25)22-18(20-12)24-15(8-11(3)23-24)21-17(26)13-7-10(2)5-6-14(13)19/h5-8,12,18,20H,4,9H2,1-3H3,(H,21,26)(H,22,25)
InChIKeyVYMXJJHYUCTFBT-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.24
Rot. Bonds4

About N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-fluoro-5-methylbenzamide

N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-fluoro-5-methylbenzamide (PubChem CID 172652755) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-fluoro-5-methylbenzamide
PubChem CID172652755
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC NameN-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-fluoro-5-methylbenzamide
SMILESCCC1CC(=O)NC(n2nc(C)cc2NC(=O)c2cc(C)ccc2F)N1
InChIInChI=1S/C18H22FN5O2/c1-4-12-9-16(25)22-18(20-12)24-15(8-11(3)23-24)21-17(26)13-7-10(2)5-6-14(13)19/h5-8,12,18,20H,4,9H2,1-3H3,(H,21,26)(H,22,25)
InChIKeyVYMXJJHYUCTFBT-UHFFFAOYSA-N
XLogP2.24
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 78714284
5-bromo-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide
CID 78714437
3-fluoro-N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
CID 78714649
2-ethoxy-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 74711438
2,5-dichloro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
CID 74512880
5-chloro-2-methoxy-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
CID 78713976
1-(2-ethoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea
CID 74924632
N'-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 73339872
N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
CID 73339901
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-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]adamantane-1-carboxamide
CID 78714584
2,4-dichloro-N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 78715568

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-fluoro-5-methylbenzamide?
The IUPAC name of N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-fluoro-5-methylbenzamide (CID 172652755) is N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-fluoro-5-methylbenzamide is CCC1CC(=O)NC(n2nc(C)cc2NC(=O)c2cc(C)ccc2F)N1.
What is the InChIKey of N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-fluoro-5-methylbenzamide?
The InChIKey is VYMXJJHYUCTFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c1-4-12-9-16(25)22-18(20-12)24-15(8-11(3)23-24)21-17(26)13-7-10(2)5-6-14(13)19/h5-8,12,18,20H,4,9H2,1-3H3,(H,21,26)(H,22,25).
What are the key properties of N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-fluoro-5-methylbenzamide?
N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-fluoro-5-methylbenzamide has a molecular weight of 359.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 172652755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).