N-(5-amino-2-methylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

C16H22N4O — CID 61225930

IUPACN-(5-amino-2-methylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1ccc(N)cc1NC(=O)CCn1nc(C)c(C)c1C
InChIInChI=1S/C16H22N4O/c1-10-5-6-14(17)9-15(10)18-16(21)7-8-20-13(4)11(2)12(3)19-20/h5-6,9H,7-8,17H2,1-4H3,(H,18,21)
InChIKeyVUAZELWUHXZKFH-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.73
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

N-(5-amino-2-methylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (PubChem CID 61225930) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
PubChem CID61225930
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(5-amino-2-methylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1ccc(N)cc1NC(=O)CCn1nc(C)c(C)c1C
InChIInChI=1S/C16H22N4O/c1-10-5-6-14(17)9-15(10)18-16(21)7-8-20-13(4)11(2)12(3)19-20/h5-6,9H,7-8,17H2,1-4H3,(H,18,21)
InChIKeyVUAZELWUHXZKFH-UHFFFAOYSA-N
XLogP2.73
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methylphenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 61225538
N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 16786199
N-(5-amino-2-fluorophenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 62128370
N-(5-amino-2-methylphenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide
CID 62057473
N-(5-amino-2-chlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 61226125
N-(5-amino-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride
CID 120568461
N-(5-amino-2-methylphenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide
CID 43447503
N-(5-amino-2-methylphenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 81099067
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
CID 19557792
N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006
N-(5-amino-2-methylphenyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 63312901
N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide
CID 16794289

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (CID 61225930) is N-(5-amino-2-methylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is Cc1ccc(N)cc1NC(=O)CCn1nc(C)c(C)c1C.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The InChIKey is VUAZELWUHXZKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10-5-6-14(17)9-15(10)18-16(21)7-8-20-13(4)11(2)12(3)19-20/h5-6,9H,7-8,17H2,1-4H3,(H,18,21).
What are the key properties of N-(5-amino-2-methylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
N-(5-amino-2-methylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide has a molecular weight of 286.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 61225930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).