2-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]propanamide

C15H20N4O — CID 86802649

IUPAC2-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]propanamide
SMILESCc1ccc(C)c(-n2ncc(NC(C)C(N)=O)c2C)c1
InChIInChI=1S/C15H20N4O/c1-9-5-6-10(2)14(7-9)19-12(4)13(8-17-19)18-11(3)15(16)20/h5-8,11,18H,1-4H3,(H2,16,20)
InChIKeyJDRZDVYDORJIFG-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.08
Rot. Bonds4

About 2-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]propanamide

2-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]propanamide (PubChem CID 86802649) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]propanamide.

Molecular Properties

Compound Name2-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]propanamide
PubChem CID86802649
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]propanamide
SMILESCc1ccc(C)c(-n2ncc(NC(C)C(N)=O)c2C)c1
InChIInChI=1S/C15H20N4O/c1-9-5-6-10(2)14(7-9)19-12(4)13(8-17-19)18-11(3)15(16)20/h5-8,11,18H,1-4H3,(H2,16,20)
InChIKeyJDRZDVYDORJIFG-UHFFFAOYSA-N
XLogP2.08
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)-5-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-amine
CID 167900039
1-(2,5-dimethylphenyl)-5-methyl-N-methylsulfonylpyrazole-4-carboxamide
CID 146154766
3-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122087413
2-chloro-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-4,5-difluorobenzamide
CID 99696284
N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 99696822
1-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122087409
(3R)-3-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]-1-methylpyrrolidin-2-one
CID 99616166
5-(acetamidomethyl)-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]thiophene-2-carboxamide
CID 99696230
1-(2,5-dimethylphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 82361395
methyl (2R)-2-(2,4-dimethylanilino)propanoate
CID 94188227
5-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine
CID 82528529
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-(2,5-dimethylphenyl)-5-methylpyrazole-4-carboxamide
CID 99612955

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]propanamide?
The IUPAC name of 2-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]propanamide (CID 86802649) is 2-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]propanamide.
What is the SMILES notation for 2-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]propanamide?
The canonical SMILES for 2-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]propanamide is Cc1ccc(C)c(-n2ncc(NC(C)C(N)=O)c2C)c1.
What is the InChIKey of 2-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]propanamide?
The InChIKey is JDRZDVYDORJIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-9-5-6-10(2)14(7-9)19-12(4)13(8-17-19)18-11(3)15(16)20/h5-8,11,18H,1-4H3,(H2,16,20).
What are the key properties of 2-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]propanamide?
2-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]propanamide has a molecular weight of 272.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]propanamide is sourced from PubChem (CID 86802649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).