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

C18H21Cl2N5O2 — CID 78715568

IUPAC2,4-dichloro-N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide
SMILESCCC1C(=O)NC(n2nc(C)cc2NC(=O)c2ccc(Cl)cc2Cl)NC1C
InChIInChI=1S/C18H21Cl2N5O2/c1-4-12-10(3)21-18(23-16(12)26)25-15(7-9(2)24-25)22-17(27)13-6-5-11(19)8-14(13)20/h5-8,10,12,18,21H,4H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyRUBIODHFQVOURQ-UHFFFAOYSA-N
MW410.31 g/mol
LogP3.34
Rot. Bonds4

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

2,4-dichloro-N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide (PubChem CID 78715568) has the molecular formula C18H21Cl2N5O2 and a molecular weight of 410.31 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide
PubChem CID78715568
Molecular FormulaC18H21Cl2N5O2
Molecular Weight410.31 g/mol
Exact Mass409.11
IUPAC Name2,4-dichloro-N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide
SMILESCCC1C(=O)NC(n2nc(C)cc2NC(=O)c2ccc(Cl)cc2Cl)NC1C
InChIInChI=1S/C18H21Cl2N5O2/c1-4-12-10(3)21-18(23-16(12)26)25-15(7-9(2)24-25)22-17(27)13-6-5-11(19)8-14(13)20/h5-8,10,12,18,21H,4H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyRUBIODHFQVOURQ-UHFFFAOYSA-N
XLogP3.34
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.31
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,4-dichloro-N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 78715484
N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide
CID 74711447
N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-(3-methylphenyl)acetamide
CID 78715686
2,5-dichloro-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 78714284
2,5-dichloro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
CID 74512880
2-(2,4-dichlorophenoxy)-N-[2-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 74753944
N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 78715666
5-chloro-2-methoxy-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
CID 78713976
N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-fluoro-5-methylbenzamide
CID 172652755
1-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-(4-methylphenyl)urea
CID 74924907
1-(4-chlorophenyl)-N-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-(furan-2-yl)pyrazol-5-yl]cyclopentane-1-carboxamide
CID 74798288
2-chloro-6-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
CID 78713973

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide (CID 78715568) is 2,4-dichloro-N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide is CCC1C(=O)NC(n2nc(C)cc2NC(=O)c2ccc(Cl)cc2Cl)NC1C.
What is the InChIKey of 2,4-dichloro-N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide?
The InChIKey is RUBIODHFQVOURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N5O2/c1-4-12-10(3)21-18(23-16(12)26)25-15(7-9(2)24-25)22-17(27)13-6-5-11(19)8-14(13)20/h5-8,10,12,18,21H,4H2,1-3H3,(H,22,27)(H,23,26).
What are the key properties of 2,4-dichloro-N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide?
2,4-dichloro-N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide has a molecular weight of 410.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide is sourced from PubChem (CID 78715568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).