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

C16H18N4O2 — CID 53196009

IUPACN-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide
SMILESCCn1c(-c2cc(NC(C)=O)n[nH]2)cc2cc(OC)ccc21
InChIInChI=1S/C16H18N4O2/c1-4-20-14-6-5-12(22-3)7-11(14)8-15(20)13-9-16(19-18-13)17-10(2)21/h5-9H,4H2,1-3H3,(H2,17,18,19,21)
InChIKeyVVBJUNKWWDWXEN-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.02
Rot. Bonds4

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

N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide (PubChem CID 53196009) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide
PubChem CID53196009
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide
SMILESCCn1c(-c2cc(NC(C)=O)n[nH]2)cc2cc(OC)ccc21
InChIInChI=1S/C16H18N4O2/c1-4-20-14-6-5-12(22-3)7-11(14)8-15(20)13-9-16(19-18-13)17-10(2)21/h5-9H,4H2,1-3H3,(H2,17,18,19,21)
InChIKeyVVBJUNKWWDWXEN-UHFFFAOYSA-N
XLogP3.02
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394180
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
2-(5-methoxy-1H-indol-3-yl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine
CID 10736426
3-(5-methoxy-1H-indol-2-yl)-1H-indazole
CID 136199382
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)butanamide
CID 1596863
N-(1-butyl-6-methoxypyrazolo[3,4-b]quinolin-3-yl)propanamide
CID 1623160
US11649255, Example 467
CID 164520385

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide (CID 53196009) is N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide is CCn1c(-c2cc(NC(C)=O)n[nH]2)cc2cc(OC)ccc21.
What is the InChIKey of N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is VVBJUNKWWDWXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-4-20-14-6-5-12(22-3)7-11(14)8-15(20)13-9-16(19-18-13)17-10(2)21/h5-9H,4H2,1-3H3,(H2,17,18,19,21).
What are the key properties of N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide?
N-[5-(1-ethyl-5-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 298.35 g/mol, XLogP of 3.02, 4 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]acetamide is sourced from PubChem (CID 53196009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).