N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide

C16H18N4O2 — CID 53196135

IUPACN-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide
SMILESCCn1c(-c2cc(NC(C)=O)n[nH]2)cc2c(OC)cccc21
InChIInChI=1S/C16H18N4O2/c1-4-20-13-6-5-7-15(22-3)11(13)8-14(20)12-9-16(19-18-12)17-10(2)21/h5-9H,4H2,1-3H3,(H2,17,18,19,21)
InChIKeyYWMQFBSGJMEDEL-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.02
Rot. Bonds4

About N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide

N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide (PubChem CID 53196135) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide
PubChem CID53196135
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide
SMILESCCn1c(-c2cc(NC(C)=O)n[nH]2)cc2c(OC)cccc21
InChIInChI=1S/C16H18N4O2/c1-4-20-13-6-5-7-15(22-3)11(13)8-14(20)12-9-16(19-18-12)17-10(2)21/h5-9H,4H2,1-3H3,(H2,17,18,19,21)
InChIKeyYWMQFBSGJMEDEL-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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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide (CID 53196135) is N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide is CCn1c(-c2cc(NC(C)=O)n[nH]2)cc2c(OC)cccc21.
What is the InChIKey of N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is YWMQFBSGJMEDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-4-20-13-6-5-7-15(22-3)11(13)8-14(20)12-9-16(19-18-12)17-10(2)21/h5-9H,4H2,1-3H3,(H2,17,18,19,21).
What are the key properties of N-[5-(1-ethyl-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide?
N-[5-(1-ethyl-4-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-4-methoxyindol-2-yl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 53196135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).