4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide

C18H24N4O2 — CID 27990683

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)c1ccc(-n2nc(C)cc2C)cc1
InChIInChI=1S/C18H24N4O2/c1-5-10-19-17(23)14(4)20-18(24)15-6-8-16(9-7-15)22-13(3)11-12(2)21-22/h6-9,11,14H,5,10H2,1-4H3,(H,19,23)(H,20,24)/t14-/m1/s1
InChIKeyFLUPOSODHXAUGR-CQSZACIVSA-N
MW328.42 g/mol
LogP2.13
Rot. Bonds6

About 4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide (PubChem CID 27990683) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
PubChem CID27990683
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)c1ccc(-n2nc(C)cc2C)cc1
InChIInChI=1S/C18H24N4O2/c1-5-10-19-17(23)14(4)20-18(24)15-6-8-16(9-7-15)22-13(3)11-12(2)21-22/h6-9,11,14H,5,10H2,1-4H3,(H,19,23)(H,20,24)/t14-/m1/s1
InChIKeyFLUPOSODHXAUGR-CQSZACIVSA-N
XLogP2.13
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 120507810
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide
CID 26365102
N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119499461
4-(3,5-dimethylpyrazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 26197510
4-(3,5-dimethylpyrazol-1-yl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 75401880
4-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 70728129
N-[(1S)-1-cyano-3-methylbutyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 95280174
N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119408817
methyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoate
CID 8733711
3-fluoro-4-methyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 41089115
4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 9112873
4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)benzamide
CID 112816364

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide (CID 27990683) is 4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide is CCCNC(=O)[C@@H](C)NC(=O)c1ccc(-n2nc(C)cc2C)cc1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The InChIKey is FLUPOSODHXAUGR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-5-10-19-17(23)14(4)20-18(24)15-6-8-16(9-7-15)22-13(3)11-12(2)21-22/h6-9,11,14H,5,10H2,1-4H3,(H,19,23)(H,20,24)/t14-/m1/s1.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide has a molecular weight of 328.42 g/mol, XLogP of 2.13, 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)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide is sourced from PubChem (CID 27990683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).