N-[3-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylphenyl]acetamide

C15H18N4O — CID 106936305

IUPACN-[3-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylphenyl]acetamide
SMILESC=Cn1cc(CNc2cc(NC(C)=O)ccc2C)cn1
InChIInChI=1S/C15H18N4O/c1-4-19-10-13(9-17-19)8-16-15-7-14(18-12(3)20)6-5-11(15)2/h4-7,9-10,16H,1,8H2,2-3H3,(H,18,20)
InChIKeyPBKDUXLWZVJUFG-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.86
Rot. Bonds5

About N-[3-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylphenyl]acetamide

N-[3-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylphenyl]acetamide (PubChem CID 106936305) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[3-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylphenyl]acetamide
PubChem CID106936305
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[3-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylphenyl]acetamide
SMILESC=Cn1cc(CNc2cc(NC(C)=O)ccc2C)cn1
InChIInChI=1S/C15H18N4O/c1-4-19-10-13(9-17-19)8-16-15-7-14(18-12(3)20)6-5-11(15)2/h4-7,9-10,16H,1,8H2,2-3H3,(H,18,20)
InChIKeyPBKDUXLWZVJUFG-UHFFFAOYSA-N
XLogP2.86
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide
CID 43789839
ethyl 4-[(1-ethenylpyrazol-4-yl)methylamino]benzoate
CID 106935650
N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 115876077
2-chloro-N-[(1-ethenylpyrazol-4-yl)methyl]-5-methylaniline
CID 107094615
2,4,5-trichloro-N-[(1-ethenylpyrazol-4-yl)methyl]aniline
CID 106935218
N-[(1-ethenylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline
CID 106936465
3-[(1-ethenylpyrazol-4-yl)methylamino]-5-fluoro-4-methylbenzamide
CID 106936269
1-[5-[(1-ethenylpyrazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 106935907
N-[(1-ethenylpyrazol-4-yl)methyl]-2-methoxy-5-methylaniline
CID 106935285
N-[(1-ethenylpyrazol-4-yl)methyl]-2-methyl-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline
CID 99840622
N-[(1-ethenylpyrazol-4-yl)methyl]-4-methoxyaniline
CID 106935387
N-[3-[(3-bromo-4-hydroxyphenyl)methylamino]-4-methylphenyl]acetamide
CID 60961965

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylphenyl]acetamide (CID 106936305) is N-[3-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylphenyl]acetamide is C=Cn1cc(CNc2cc(NC(C)=O)ccc2C)cn1.
What is the InChIKey of N-[3-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylphenyl]acetamide?
The InChIKey is PBKDUXLWZVJUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-4-19-10-13(9-17-19)8-16-15-7-14(18-12(3)20)6-5-11(15)2/h4-7,9-10,16H,1,8H2,2-3H3,(H,18,20).
What are the key properties of N-[3-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylphenyl]acetamide?
N-[3-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylphenyl]acetamide has a molecular weight of 270.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylphenyl]acetamide is sourced from PubChem (CID 106936305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).