2-(2,4-dichlorophenoxy)-N-[2-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]acetamide

C18H21Cl2N5O3 — CID 74753944

IUPAC2-(2,4-dichlorophenoxy)-N-[2-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C2NC(=O)C(C)C(C)N2)n1
InChIInChI=1S/C18H21Cl2N5O3/c1-9-6-15(25(24-9)18-21-11(3)10(2)17(27)23-18)22-16(26)8-28-14-5-4-12(19)7-13(14)20/h4-7,10-11,18,21H,8H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyQXVILYNHQSCYFK-UHFFFAOYSA-N
MW426.30 g/mol
LogP2.72
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[2-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]acetamide

2-(2,4-dichlorophenoxy)-N-[2-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]acetamide (PubChem CID 74753944) has the molecular formula C18H21Cl2N5O3 and a molecular weight of 426.30 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]acetamide
PubChem CID74753944
Molecular FormulaC18H21Cl2N5O3
Molecular Weight426.30 g/mol
Exact Mass425.10
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C2NC(=O)C(C)C(C)N2)n1
InChIInChI=1S/C18H21Cl2N5O3/c1-9-6-15(25(24-9)18-21-11(3)10(2)17(27)23-18)22-16(26)8-28-14-5-4-12(19)7-13(14)20/h4-7,10-11,18,21H,8H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyQXVILYNHQSCYFK-UHFFFAOYSA-N
XLogP2.72
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.30
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]acetamide
CID 45283901
2-(4-chlorophenoxy)-N-[1-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)-3-(furan-2-yl)pyrazol-5-yl]acetamide
CID 74798114
N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 78715666
2,4-dichloro-N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 78715568
N-[2-[1-(4-chlorophenyl)-4-oxo-3,3a,5,6,7,7a-hexahydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-2-(4-methylphenoxy)acetamide
CID 74532959
N-[2-[1-(4-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 136604165
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-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
CID 74512880
1-(3,4-dichlorophenyl)-3-[1-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea
CID 74924790
N-[2-[1-(4-fluorophenyl)-4-oxo-3,3a,5,6,7,7a-hexahydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 74415579
2-(2,4-dichlorophenoxy)-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide
CID 136604602
N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide
CID 74711447

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]acetamide (CID 74753944) is 2-(2,4-dichlorophenoxy)-N-[2-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]acetamide is Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C2NC(=O)C(C)C(C)N2)n1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]acetamide?
The InChIKey is QXVILYNHQSCYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N5O3/c1-9-6-15(25(24-9)18-21-11(3)10(2)17(27)23-18)22-16(26)8-28-14-5-4-12(19)7-13(14)20/h4-7,10-11,18,21H,8H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]acetamide has a molecular weight of 426.30 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 74753944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).