3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide

C22H24N4O2 — CID 131908651

IUPAC3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)c1C
InChIInChI=1S/C22H24N4O2/c1-14-18(22(28)23-4)11-8-12-20(14)24-21(27)13-19-15(2)25-26(16(19)3)17-9-6-5-7-10-17/h5-12H,13H2,1-4H3,(H,23,28)(H,24,27)
InChIKeySTFNRFIZOXOHKP-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.34
Rot. Bonds5

About 3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide

3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide (PubChem CID 131908651) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide
PubChem CID131908651
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)c1C
InChIInChI=1S/C22H24N4O2/c1-14-18(22(28)23-4)11-8-12-20(14)24-21(27)13-19-15(2)25-26(16(19)3)17-9-6-5-7-10-17/h5-12H,13H2,1-4H3,(H,23,28)(H,24,27)
InChIKeySTFNRFIZOXOHKP-UHFFFAOYSA-N
XLogP3.34
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 9403949
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 33372039
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-ethylphenyl)acetamide
CID 55736830
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide
CID 46418937
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide
CID 55762936
N-(3-amino-3-oxopropyl)-2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide
CID 56573241
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 9226832
N-(2-ethylsulfonylphenyl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55760787
CID 89224809
CID 89224809
N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-2-pyrrol-1-ylbenzohydrazide
CID 9032199
N-(3-chloro-4-methylphenyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9043581
N-(2-acetylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 9436860

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide?
The IUPAC name of 3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide (CID 131908651) is 3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide?
The canonical SMILES for 3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide is CNC(=O)c1cccc(NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)c1C.
What is the InChIKey of 3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide?
The InChIKey is STFNRFIZOXOHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-18(22(28)23-4)11-8-12-20(14)24-21(27)13-19-15(2)25-26(16(19)3)17-9-6-5-7-10-17/h5-12H,13H2,1-4H3,(H,23,28)(H,24,27).
What are the key properties of 3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide?
3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide has a molecular weight of 376.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide is sourced from PubChem (CID 131908651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).