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

C17H20N4O — CID 53195932

IUPACN-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]butanamide
SMILESCCCC(=O)Nc1cc(-c2cc3ccccc3n2CC)[nH]n1
InChIInChI=1S/C17H20N4O/c1-3-7-17(22)18-16-11-13(19-20-16)15-10-12-8-5-6-9-14(12)21(15)4-2/h5-6,8-11H,3-4,7H2,1-2H3,(H2,18,19,20,22)
InChIKeyVPHCDZWRUVHKIR-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.79
Rot. Bonds5

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

N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]butanamide (PubChem CID 53195932) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]butanamide
PubChem CID53195932
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]butanamide
SMILESCCCC(=O)Nc1cc(-c2cc3ccccc3n2CC)[nH]n1
InChIInChI=1S/C17H20N4O/c1-3-7-17(22)18-16-11-13(19-20-16)15-10-12-8-5-6-9-14(12)21(15)4-2/h5-6,8-11H,3-4,7H2,1-2H3,(H2,18,19,20,22)
InChIKeyVPHCDZWRUVHKIR-UHFFFAOYSA-N
XLogP3.79
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.79
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]butanamide?
The IUPAC name of N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]butanamide (CID 53195932) is N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]butanamide.
What is the SMILES notation for N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]butanamide?
The canonical SMILES for N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]butanamide is CCCC(=O)Nc1cc(-c2cc3ccccc3n2CC)[nH]n1.
What is the InChIKey of N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]butanamide?
The InChIKey is VPHCDZWRUVHKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-3-7-17(22)18-16-11-13(19-20-16)15-10-12-8-5-6-9-14(12)21(15)4-2/h5-6,8-11H,3-4,7H2,1-2H3,(H2,18,19,20,22).
What are the key properties of N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]butanamide?
N-[5-(1-ethylindol-2-yl)-1H-pyrazol-3-yl]butanamide has a molecular weight of 296.37 g/mol, XLogP of 3.79, 5 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]butanamide is sourced from PubChem (CID 53195932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).