2,4-dichloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide

C15H17Cl2N3O — CID 35524422

IUPAC2,4-dichloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide
SMILESCCn1nc(C)c(CNC(=O)c2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C15H17Cl2N3O/c1-4-20-10(3)13(9(2)19-20)8-18-15(21)12-6-5-11(16)7-14(12)17/h5-7H,4,8H2,1-3H3,(H,18,21)
InChIKeyINCXVLZNYSCIPH-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.76
Rot. Bonds4

About 2,4-dichloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide

2,4-dichloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide (PubChem CID 35524422) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is 2,4-dichloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide
PubChem CID35524422
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name2,4-dichloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide
SMILESCCn1nc(C)c(CNC(=O)c2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C15H17Cl2N3O/c1-4-20-10(3)13(9(2)19-20)8-18-15(21)12-6-5-11(16)7-14(12)17/h5-7H,4,8H2,1-3H3,(H,18,21)
InChIKeyINCXVLZNYSCIPH-UHFFFAOYSA-N
XLogP3.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79225523
5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-2-fluoro-N-methylbenzamide
CID 56824177
2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide
CID 19282119
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide
CID 71998677
4-chloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyridine-2-carboxamide
CID 86846936
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 71922084
2,4-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 23019893
2,4-dichloro-N-nonylbenzamide
CID 3596264
2,5-dichloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]thiophene-3-carboxamide
CID 47079521
N-[(4-chlorophenyl)methyl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 35522172
2,4-dichloro-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 17088754
1-benzyl-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 34463265

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide (CID 35524422) is 2,4-dichloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide is CCn1nc(C)c(CNC(=O)c2ccc(Cl)cc2Cl)c1C.
What is the InChIKey of 2,4-dichloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide?
The InChIKey is INCXVLZNYSCIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c1-4-20-10(3)13(9(2)19-20)8-18-15(21)12-6-5-11(16)7-14(12)17/h5-7H,4,8H2,1-3H3,(H,18,21).
What are the key properties of 2,4-dichloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide?
2,4-dichloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide has a molecular weight of 326.23 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 35524422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).