N-(2,3-dimethylphenyl)-N'-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanediamide

C18H24N4O2 — CID 131924683

IUPACN-(2,3-dimethylphenyl)-N'-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanediamide
SMILESCc1cc(CC(C)NC(=O)CC(=O)Nc2cccc(C)c2C)n[nH]1
InChIInChI=1S/C18H24N4O2/c1-11-6-5-7-16(14(11)4)20-18(24)10-17(23)19-12(2)8-15-9-13(3)21-22-15/h5-7,9,12H,8,10H2,1-4H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyALICATKUDRQBSK-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.41
Rot. Bonds6

About N-(2,3-dimethylphenyl)-N'-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanediamide

N-(2,3-dimethylphenyl)-N'-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanediamide (PubChem CID 131924683) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-N'-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanediamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-N'-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanediamide
PubChem CID131924683
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(2,3-dimethylphenyl)-N'-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanediamide
SMILESCc1cc(CC(C)NC(=O)CC(=O)Nc2cccc(C)c2C)n[nH]1
InChIInChI=1S/C18H24N4O2/c1-11-6-5-7-16(14(11)4)20-18(24)10-17(23)19-12(2)8-15-9-13(3)21-22-15/h5-7,9,12H,8,10H2,1-4H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyALICATKUDRQBSK-UHFFFAOYSA-N
XLogP2.41
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dimethylphenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 124594257
N-(2-methyl-6-propan-2-ylphenyl)-2-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]acetamide
CID 95127365
methyl 3-(2,3-dimethylanilino)-3-oxopropanoate
CID 14278404
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 86799814
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
1-(2-methoxy-5-methyl-3-pyridinyl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 91649344
1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99581238
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99856240
1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)propan-2-yl]urea
CID 70615302
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 70708653
1-(1-methyl-3-propylpyrazol-5-yl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99587018

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-N'-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanediamide?
The IUPAC name of N-(2,3-dimethylphenyl)-N'-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanediamide (CID 131924683) is N-(2,3-dimethylphenyl)-N'-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanediamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-N'-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanediamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-N'-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanediamide is Cc1cc(CC(C)NC(=O)CC(=O)Nc2cccc(C)c2C)n[nH]1.
What is the InChIKey of N-(2,3-dimethylphenyl)-N'-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanediamide?
The InChIKey is ALICATKUDRQBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-11-6-5-7-16(14(11)4)20-18(24)10-17(23)19-12(2)8-15-9-13(3)21-22-15/h5-7,9,12H,8,10H2,1-4H3,(H,19,23)(H,20,24)(H,21,22).
What are the key properties of N-(2,3-dimethylphenyl)-N'-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanediamide?
N-(2,3-dimethylphenyl)-N'-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanediamide has a molecular weight of 328.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-N'-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanediamide is sourced from PubChem (CID 131924683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).