4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(propanoylamino)phenyl]benzamide

C22H24N4O2 — CID 48985971

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(propanoylamino)phenyl]benzamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1
InChIInChI=1S/C22H24N4O2/c1-4-21(27)23-19-6-5-7-20(13-19)24-22(28)18-10-8-17(9-11-18)14-26-16(3)12-15(2)25-26/h5-13H,4,14H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyPIRHSDAGSBCHCI-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.15
Rot. Bonds6

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(propanoylamino)phenyl]benzamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(propanoylamino)phenyl]benzamide (PubChem CID 48985971) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(propanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(propanoylamino)phenyl]benzamide
PubChem CID48985971
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(propanoylamino)phenyl]benzamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1
InChIInChI=1S/C22H24N4O2/c1-4-21(27)23-19-6-5-7-20(13-19)24-22(28)18-10-8-17(9-11-18)14-26-16(3)12-15(2)25-26/h5-13H,4,14H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyPIRHSDAGSBCHCI-UHFFFAOYSA-N
XLogP4.15
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide
CID 49016835
N-(4-carbamoylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 48980777
N-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 94872709
N-(3-anilino-3-oxopropyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 131903962
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethylsulfonylphenyl)benzamide
CID 48984995
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 48980527
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(Z)-1-phenylpropylideneamino]benzamide
CID 6146042
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 48980515
N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 58930508
N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-ethylbutanediamide
CID 146087761
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pentan-2-ylbenzamide
CID 48981331
4-chloro-N-[1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]anilino]-1-oxopropan-2-yl]benzamide
CID 86901739

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(propanoylamino)phenyl]benzamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(propanoylamino)phenyl]benzamide (CID 48985971) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(propanoylamino)phenyl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(propanoylamino)phenyl]benzamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(propanoylamino)phenyl]benzamide is CCC(=O)Nc1cccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(propanoylamino)phenyl]benzamide?
The InChIKey is PIRHSDAGSBCHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-21(27)23-19-6-5-7-20(13-19)24-22(28)18-10-8-17(9-11-18)14-26-16(3)12-15(2)25-26/h5-13H,4,14H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(propanoylamino)phenyl]benzamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(propanoylamino)phenyl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(propanoylamino)phenyl]benzamide is sourced from PubChem (CID 48985971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).