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

C16H17ClFN5O2 — CID 78713973

IUPAC2-chloro-6-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2c(F)cccc2Cl)n(C2NC(=O)CC(C)N2)n1
InChIInChI=1S/C16H17ClFN5O2/c1-8-7-13(24)21-16(19-8)23-12(6-9(2)22-23)20-15(25)14-10(17)4-3-5-11(14)18/h3-6,8,16,19H,7H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyMSPUZQIXSUEMHR-UHFFFAOYSA-N
MW365.80 g/mol
LogP2.19
Rot. Bonds3

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

2-chloro-6-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide (PubChem CID 78713973) has the molecular formula C16H17ClFN5O2 and a molecular weight of 365.80 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
PubChem CID78713973
Molecular FormulaC16H17ClFN5O2
Molecular Weight365.80 g/mol
Exact Mass365.11
IUPAC Name2-chloro-6-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2c(F)cccc2Cl)n(C2NC(=O)CC(C)N2)n1
InChIInChI=1S/C16H17ClFN5O2/c1-8-7-13(24)21-16(19-8)23-12(6-9(2)22-23)20-15(25)14-10(17)4-3-5-11(14)18/h3-6,8,16,19H,7H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyMSPUZQIXSUEMHR-UHFFFAOYSA-N
XLogP2.19
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.80
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide
CID 78714002
2-chloro-N-[2-[1-(3,4-dimethylphenyl)-4-oxo-3,3a,5,6,7,7a-hexahydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-6-fluorobenzamide
CID 74533149
2-chloro-N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]benzamide
CID 74801520
2,5-dichloro-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 78714284
(E)-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]but-2-enamide
CID 156591279
3-fluoro-N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
CID 78714649
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-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 74908550
3-cyclopentyl-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]propanamide
CID 78713882
2-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-6-fluorobenzamide
CID 135753087

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide (CID 78713973) is 2-chloro-6-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide is Cc1cc(NC(=O)c2c(F)cccc2Cl)n(C2NC(=O)CC(C)N2)n1.
What is the InChIKey of 2-chloro-6-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide?
The InChIKey is MSPUZQIXSUEMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN5O2/c1-8-7-13(24)21-16(19-8)23-12(6-9(2)22-23)20-15(25)14-10(17)4-3-5-11(14)18/h3-6,8,16,19H,7H2,1-2H3,(H,20,25)(H,21,24).
What are the key properties of 2-chloro-6-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide?
2-chloro-6-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide has a molecular weight of 365.80 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 78713973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).