4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide

C23H25ClN4O2 — CID 27788219

IUPAC4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1
InChIInChI=1S/C23H25ClN4O2/c1-14-7-6-8-15(2)22(14)25-20(29)13-27(5)23(30)18-9-11-19(12-10-18)28-17(4)21(24)16(3)26-28/h6-12H,13H2,1-5H3,(H,25,29)
InChIKeyROUVBYDTUZQTGB-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.47
Rot. Bonds5

About 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 27788219) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID27788219
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1
InChIInChI=1S/C23H25ClN4O2/c1-14-7-6-8-15(2)22(14)25-20(29)13-27(5)23(30)18-9-11-19(12-10-18)28-17(4)21(24)16(3)26-28/h6-12H,13H2,1-5H3,(H,25,29)
InChIKeyROUVBYDTUZQTGB-UHFFFAOYSA-N
XLogP4.47
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-(5-methylpyrazol-1-yl)benzamide
CID 9426110
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylbenzamide
CID 78798770
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
CID 26356006
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 27788265
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 60550448
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55331652
2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 31936113
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 8500886
4-chloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783986
1-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide
CID 31935792
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methyl-2-pyridinyl)benzamide
CID 35032045
3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 9431379

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide (CID 27788219) is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1.
What is the InChIKey of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is ROUVBYDTUZQTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-14-7-6-8-15(2)22(14)25-20(29)13-27(5)23(30)18-9-11-19(12-10-18)28-17(4)21(24)16(3)26-28/h6-12H,13H2,1-5H3,(H,25,29).
What are the key properties of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 424.93 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 27788219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).