N-[3-(4-ethoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide

C20H17N3O3 — CID 5329611

IUPACN-[3-(4-ethoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
SMILESCCOc1ccc(-c2n[nH]c3c2C(=O)c2c(NC(C)=O)cccc2-3)cc1
InChIInChI=1S/C20H17N3O3/c1-3-26-13-9-7-12(8-10-13)18-17-19(23-22-18)14-5-4-6-15(21-11(2)24)16(14)20(17)25/h4-10H,3H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyRQKDJNHEETXIKP-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.65
Rot. Bonds4

About N-[3-(4-ethoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide

N-[3-(4-ethoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide (PubChem CID 5329611) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[3-(4-ethoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-ethoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
PubChem CID5329611
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-[3-(4-ethoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
SMILESCCOc1ccc(-c2n[nH]c3c2C(=O)c2c(NC(C)=O)cccc2-3)cc1
InChIInChI=1S/C20H17N3O3/c1-3-26-13-9-7-12(8-10-13)18-17-19(23-22-18)14-5-4-6-15(21-11(2)24)16(14)20(17)25/h4-10H,3H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyRQKDJNHEETXIKP-UHFFFAOYSA-N
XLogP3.65
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The IUPAC name of N-[3-(4-ethoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide (CID 5329611) is N-[3-(4-ethoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide.
What is the SMILES notation for N-[3-(4-ethoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The canonical SMILES for N-[3-(4-ethoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide is CCOc1ccc(-c2n[nH]c3c2C(=O)c2c(NC(C)=O)cccc2-3)cc1.
What is the InChIKey of N-[3-(4-ethoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The InChIKey is RQKDJNHEETXIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-3-26-13-9-7-12(8-10-13)18-17-19(23-22-18)14-5-4-6-15(21-11(2)24)16(14)20(17)25/h4-10H,3H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-(4-ethoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
N-[3-(4-ethoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide has a molecular weight of 347.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide is sourced from PubChem (CID 5329611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).