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

C16H17Cl2N5O2 — CID 74512880

IUPAC2,5-dichloro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2cc(Cl)ccc2Cl)n(C2NC(=O)CC(C)N2)n1
InChIInChI=1S/C16H17Cl2N5O2/c1-8-6-14(24)21-16(19-8)23-13(5-9(2)22-23)20-15(25)11-7-10(17)3-4-12(11)18/h3-5,7-8,16,19H,6H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyVFJFPNMFRMRIAQ-UHFFFAOYSA-N
MW382.25 g/mol
LogP2.70
Rot. Bonds3

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

2,5-dichloro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide (PubChem CID 74512880) has the molecular formula C16H17Cl2N5O2 and a molecular weight of 382.25 g/mol. Its IUPAC name is 2,5-dichloro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
PubChem CID74512880
Molecular FormulaC16H17Cl2N5O2
Molecular Weight382.25 g/mol
Exact Mass381.08
IUPAC Name2,5-dichloro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2cc(Cl)ccc2Cl)n(C2NC(=O)CC(C)N2)n1
InChIInChI=1S/C16H17Cl2N5O2/c1-8-6-14(24)21-16(19-8)23-13(5-9(2)22-23)20-15(25)11-7-10(17)3-4-12(11)18/h3-5,7-8,16,19H,6H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyVFJFPNMFRMRIAQ-UHFFFAOYSA-N
XLogP2.70
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
CID 78713976
2,5-dichloro-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 78714284
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
2-chloro-N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]benzamide
CID 74801520
(E)-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]but-2-enamide
CID 156591279
N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-fluoro-5-methylbenzamide
CID 172652755
2,4-dichloro-N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 78715568
2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 45284555
3-cyclopentyl-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]propanamide
CID 78713882
1-(3,4-dichlorophenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea
CID 74924627
N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 74908550

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide?
The IUPAC name of 2,5-dichloro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide (CID 74512880) is 2,5-dichloro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide is Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)n(C2NC(=O)CC(C)N2)n1.
What is the InChIKey of 2,5-dichloro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide?
The InChIKey is VFJFPNMFRMRIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N5O2/c1-8-6-14(24)21-16(19-8)23-13(5-9(2)22-23)20-15(25)11-7-10(17)3-4-12(11)18/h3-5,7-8,16,19H,6H2,1-2H3,(H,20,25)(H,21,24).
What are the key properties of 2,5-dichloro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide?
2,5-dichloro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide has a molecular weight of 382.25 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 74512880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).