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

C17H20N4O2 — CID 53196007

IUPACN-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]propanamide
SMILESCCC(=O)Nc1cc(-c2cc3cc(OC)ccc3n2CC)[nH]n1
InChIInChI=1S/C17H20N4O2/c1-4-17(22)18-16-10-13(19-20-16)15-9-11-8-12(23-3)6-7-14(11)21(15)5-2/h6-10H,4-5H2,1-3H3,(H2,18,19,20,22)
InChIKeyABQUOAXLKCGBEN-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.41
Rot. Bonds5

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

N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]propanamide (PubChem CID 53196007) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]propanamide.

Molecular Properties

Compound NameN-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]propanamide
PubChem CID53196007
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]propanamide
SMILESCCC(=O)Nc1cc(-c2cc3cc(OC)ccc3n2CC)[nH]n1
InChIInChI=1S/C17H20N4O2/c1-4-17(22)18-16-10-13(19-20-16)15-9-11-8-12(23-3)6-7-14(11)21(15)5-2/h6-10H,4-5H2,1-3H3,(H2,18,19,20,22)
InChIKeyABQUOAXLKCGBEN-UHFFFAOYSA-N
XLogP3.41
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-methoxy-1-(2-methylpropyl)-3-pyrazolo[3,4-b]quinolinyl]-3-methylbutanamide
CID 1398674
N-(6-methoxy-1-propylpyrazolo[3,4-b]quinolin-3-yl)-2-methylpropanamide
CID 1414939
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]indole-1-carboxamide
CID 59394622
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]indole-1-carboxamide
CID 59394679
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)indole-1-carboxamide
CID 59394764
N-(6-methoxy-1-propylpyrazolo[3,4-b]quinolin-3-yl)-2,2-dimethylpropanamide
CID 1623958
2-(5-methoxy-1H-indol-3-yl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine
CID 10736426
N-(4-Methoxyphenyl)-4-[2-(1-methyl-1H-indol-3-YL)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL]butanamide
CID 16028949
1-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-(4-methoxyphenyl)-1-methylurea
CID 136961427
6-(2,6-dimethyl-4-pyridinyl)-5-methoxy-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine
CID 166627496
N-(1-butyl-6-methoxypyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide
CID 1556723
N-(1-butyl-6-methoxypyrazolo[3,4-b]quinolin-3-yl)butanamide
CID 1596863

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]propanamide?
The IUPAC name of N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]propanamide (CID 53196007) is N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]propanamide.
What is the SMILES notation for N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]propanamide?
The canonical SMILES for N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]propanamide is CCC(=O)Nc1cc(-c2cc3cc(OC)ccc3n2CC)[nH]n1.
What is the InChIKey of N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]propanamide?
The InChIKey is ABQUOAXLKCGBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-4-17(22)18-16-10-13(19-20-16)15-9-11-8-12(23-3)6-7-14(11)21(15)5-2/h6-10H,4-5H2,1-3H3,(H2,18,19,20,22).
What are the key properties of N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]propanamide?
N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]propanamide has a molecular weight of 312.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]propanamide is sourced from PubChem (CID 53196007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).