1-[5-[(1-ethenylpyrazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone

C16H18N4O — CID 106935907

IUPAC1-[5-[(1-ethenylpyrazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
SMILESC=Cn1cc(CNc2ccc3c(c2)CCN3C(C)=O)cn1
InChIInChI=1S/C16H18N4O/c1-3-19-11-13(10-18-19)9-17-15-4-5-16-14(8-15)6-7-20(16)12(2)21/h3-5,8,10-11,17H,1,6-7,9H2,2H3
InChIKeyKUFCTUWKHAUCEH-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.50
Rot. Bonds4

About 1-[5-[(1-ethenylpyrazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone

1-[5-[(1-ethenylpyrazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 106935907) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-[5-[(1-ethenylpyrazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(1-ethenylpyrazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
PubChem CID106935907
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1-[5-[(1-ethenylpyrazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
SMILESC=Cn1cc(CNc2ccc3c(c2)CCN3C(C)=O)cn1
InChIInChI=1S/C16H18N4O/c1-3-19-11-13(10-18-19)9-17-15-4-5-16-14(8-15)6-7-20(16)12(2)21/h3-5,8,10-11,17H,1,6-7,9H2,2H3
InChIKeyKUFCTUWKHAUCEH-UHFFFAOYSA-N
XLogP2.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoic acid
CID 110452215
1-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 168580151
1-[5-[(3-fluorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 43230566
methyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate
CID 110452261
1-[5-[(3-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 115682421
2-chloro-5-[(1-ethenylpyrazol-4-yl)methylamino]-N-methylbenzamide
CID 106936516
1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684598
N-[3-[(1-ethenylpyrazol-4-yl)methylamino]-4-methylphenyl]acetamide
CID 106936305
1-[6-[(4-imidazol-1-ylphenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 75385310
1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone
CID 168593573
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651
1-[5-[2-(4-chlorophenyl)ethylamino]-2,3-dihydroindol-1-yl]ethanone
CID 110452236

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1-ethenylpyrazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[(1-ethenylpyrazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone (CID 106935907) is 1-[5-[(1-ethenylpyrazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[(1-ethenylpyrazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[(1-ethenylpyrazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone is C=Cn1cc(CNc2ccc3c(c2)CCN3C(C)=O)cn1.
What is the InChIKey of 1-[5-[(1-ethenylpyrazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is KUFCTUWKHAUCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-19-11-13(10-18-19)9-17-15-4-5-16-14(8-15)6-7-20(16)12(2)21/h3-5,8,10-11,17H,1,6-7,9H2,2H3.
What are the key properties of 1-[5-[(1-ethenylpyrazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[(1-ethenylpyrazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 282.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(1-ethenylpyrazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 106935907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).