2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone

C20H17N3O2 — CID 5307830

IUPAC2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(Cn1ncc2c1-c1ccccc1OC2)N1CCc2ccccc21
InChIInChI=1S/C20H17N3O2/c24-19(22-10-9-14-5-1-3-7-17(14)22)12-23-20-15(11-21-23)13-25-18-8-4-2-6-16(18)20/h1-8,11H,9-10,12-13H2
InChIKeyQAWAOTHEWUVSPU-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.03
Rot. Bonds2

About 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 5307830) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID5307830
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(Cn1ncc2c1-c1ccccc1OC2)N1CCc2ccccc21
InChIInChI=1S/C20H17N3O2/c24-19(22-10-9-14-5-1-3-7-17(14)22)12-23-20-15(11-21-23)13-25-18-8-4-2-6-16(18)20/h1-8,11H,9-10,12-13H2
InChIKeyQAWAOTHEWUVSPU-UHFFFAOYSA-N
XLogP3.03
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(2-fluorophenyl)methyl]-1,3-diazinan-1-yl]-2-(8-methyl-4H-chromeno[4,3-c]pyrazol-1-yl)ethanone
CID 5307758
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cyclohexyl-N-(furan-2-ylmethyl)acetamide
CID 5307406
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N,N-diethylacetamide
CID 5307988
2-{1H,4H-Chromeno[4,3-C]pyrazol-1-YL}-N-[4-(piperidine-1-sulfonyl)phenyl]acetamide
CID 5308229
Ethyl 4-(2-{1H,4H-chromeno[4,3-C]pyrazol-1-YL}acetyl)piperazine-1-carboxylate
CID 5308791
N-(3-chlorophenyl)-2-chromeno[4,3-c]pyrazol-1(4H)-ylacetamide
CID 9550923
2-{8-Methyl-1H,4H-chromeno[4,3-C]pyrazol-1-YL}-N-phenyl-N-(prop-2-EN-1-YL)acetamide
CID 9550937
2-{8-Methyl-1H,4H-chromeno[4,3-C]pyrazol-1-YL}-1-[3-methyl-4-(3-methylphenyl)piperazin-1-YL]ethan-1-one
CID 16010628
2-{1H,4H-Chromeno[4,3-C]pyrazol-1-YL}-1-[4-(2-fluorophenyl)piperazin-1-YL]ethan-1-one
CID 16010667
N-(4-bromophenyl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-methylacetamide
CID 16010690
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-ethoxyphenyl)-N-ethylacetamide
CID 16010700
2-(1H-indazol-1-yl)-N-(4-propoxybenzyl)acetamide
CID 6620230

Frequently Asked Questions

What is the IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone (CID 5307830) is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone is O=C(Cn1ncc2c1-c1ccccc1OC2)N1CCc2ccccc21.
What is the InChIKey of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is QAWAOTHEWUVSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-19(22-10-9-14-5-1-3-7-17(14)22)12-23-20-15(11-21-23)13-25-18-8-4-2-6-16(18)20/h1-8,11H,9-10,12-13H2.
What are the key properties of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone?
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 331.38 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 5307830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).