N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-2-(2-methylpropylamino)acetamide

C23H28N4O — CID 1062073

IUPACN-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-2-(2-methylpropylamino)acetamide
SMILESCc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CNCC(C)C)c(C)c1
InChIInChI=1S/C23H28N4O/c1-16(2)14-24-15-23(28)25-22-13-20(19-8-6-5-7-9-19)26-27(22)21-11-10-17(3)12-18(21)4/h5-13,16,24H,14-15H2,1-4H3,(H,25,28)
InChIKeyGQVSHOQZLJXVKY-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.34
Rot. Bonds7

About N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-2-(2-methylpropylamino)acetamide

N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-2-(2-methylpropylamino)acetamide (PubChem CID 1062073) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-2-(2-methylpropylamino)acetamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-2-(2-methylpropylamino)acetamide
PubChem CID1062073
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-2-(2-methylpropylamino)acetamide
SMILESCc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CNCC(C)C)c(C)c1
InChIInChI=1S/C23H28N4O/c1-16(2)14-24-15-23(28)25-22-13-20(19-8-6-5-7-9-19)26-27(22)21-11-10-17(3)12-18(21)4/h5-13,16,24H,14-15H2,1-4H3,(H,25,28)
InChIKeyGQVSHOQZLJXVKY-UHFFFAOYSA-N
XLogP4.34
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 42732968
2-[(2,6-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3682849
N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-nitrobenzamide
CID 42732971
N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbutanamide
CID 42733696
N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 42732982
N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide
CID 42730554
2-[(2,3-dimethylphenyl)carbamoyl-propylamino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide
CID 5176068
N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
CID 46087809
N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-phenylpyrazole-5-carboxamide
CID 812204
N'-(3-methylbutan-2-yl)-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]butanediamide
CID 5131615
2-[butyl-[(2,3-dichlorophenyl)carbamoyl]amino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide
CID 4303891
2-[(3-chloro-4-fluorophenyl)carbamoyl-propylamino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3965940

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-2-(2-methylpropylamino)acetamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-2-(2-methylpropylamino)acetamide (CID 1062073) is N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-2-(2-methylpropylamino)acetamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-2-(2-methylpropylamino)acetamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-2-(2-methylpropylamino)acetamide is Cc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CNCC(C)C)c(C)c1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-2-(2-methylpropylamino)acetamide?
The InChIKey is GQVSHOQZLJXVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-16(2)14-24-15-23(28)25-22-13-20(19-8-6-5-7-9-19)26-27(22)21-11-10-17(3)12-18(21)4/h5-13,16,24H,14-15H2,1-4H3,(H,25,28).
What are the key properties of N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-2-(2-methylpropylamino)acetamide?
N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-2-(2-methylpropylamino)acetamide has a molecular weight of 376.50 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-2-(2-methylpropylamino)acetamide is sourced from PubChem (CID 1062073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).