N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]propanamide

C16H18N4O — CID 53195930

IUPACN-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]propanamide
SMILESCCC(=O)Nc1cc(-c2cc3ccccc3n2CC)[nH]n1
InChIInChI=1S/C16H18N4O/c1-3-16(21)17-15-10-12(18-19-15)14-9-11-7-5-6-8-13(11)20(14)4-2/h5-10H,3-4H2,1-2H3,(H2,17,18,19,21)
InChIKeyLZPUDFPVWQCUKI-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.40
Rot. Bonds4

About N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]propanamide

N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]propanamide (PubChem CID 53195930) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]propanamide.

Molecular Properties

Compound NameN-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]propanamide
PubChem CID53195930
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]propanamide
SMILESCCC(=O)Nc1cc(-c2cc3ccccc3n2CC)[nH]n1
InChIInChI=1S/C16H18N4O/c1-3-16(21)17-15-10-12(18-19-15)14-9-11-7-5-6-8-13(11)20(14)4-2/h5-10H,3-4H2,1-2H3,(H2,17,18,19,21)
InChIKeyLZPUDFPVWQCUKI-UHFFFAOYSA-N
XLogP3.40
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]propanamide?
The IUPAC name of N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]propanamide (CID 53195930) is N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]propanamide.
What is the SMILES notation for N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]propanamide?
The canonical SMILES for N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]propanamide is CCC(=O)Nc1cc(-c2cc3ccccc3n2CC)[nH]n1.
What is the InChIKey of N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]propanamide?
The InChIKey is LZPUDFPVWQCUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-16(21)17-15-10-12(18-19-15)14-9-11-7-5-6-8-13(11)20(14)4-2/h5-10H,3-4H2,1-2H3,(H2,17,18,19,21).
What are the key properties of N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]propanamide?
N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]propanamide has a molecular weight of 282.35 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]propanamide is sourced from PubChem (CID 53195930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).