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

C18H21N3O2 — CID 6623065

IUPAC2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)Cn1ncc2c1-c1ccccc1OC2
InChIInChI=1S/C18H21N3O2/c1-13-6-4-5-9-20(13)17(22)11-21-18-14(10-19-21)12-23-16-8-3-2-7-15(16)18/h2-3,7-8,10,13H,4-6,9,11-12H2,1H3
InChIKeyOLYVBOLMONPLTK-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.84
Rot. Bonds2

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

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 6623065) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID6623065
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)Cn1ncc2c1-c1ccccc1OC2
InChIInChI=1S/C18H21N3O2/c1-13-6-4-5-9-20(13)17(22)11-21-18-14(10-19-21)12-23-16-8-3-2-7-15(16)18/h2-3,7-8,10,13H,4-6,9,11-12H2,1H3
InChIKeyOLYVBOLMONPLTK-UHFFFAOYSA-N
XLogP2.84
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(7-Methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 127029838
(8-methylchromeno[4,3-c]pyrazol-1(4H)-yl)acetic acid
CID 3237542
1-[3-[(2-fluorophenyl)methyl]-1,3-diazinan-1-yl]-2-(8-methyl-4H-chromeno[4,3-c]pyrazol-1-yl)ethanone
CID 5307758
Cyclohexyl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 127029837
1-[4-[2-(7-Methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-2-phenoxyethanone
CID 127030160
N-(3-ethoxypropyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 5307334
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)-1-(2,3-dihydroindol-1-yl)ethanone
CID 5307830
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
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one
CID 5308712
Ethyl 4-(2-{1H,4H-chromeno[4,3-C]pyrazol-1-YL}acetyl)piperazine-1-carboxylate
CID 5308791

Frequently Asked Questions

What is the IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone (CID 6623065) is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)Cn1ncc2c1-c1ccccc1OC2.
What is the InChIKey of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is OLYVBOLMONPLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-6-4-5-9-20(13)17(22)11-21-18-14(10-19-21)12-23-16-8-3-2-7-15(16)18/h2-3,7-8,10,13H,4-6,9,11-12H2,1H3.
What are the key properties of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone?
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 311.38 g/mol, XLogP of 2.84, 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-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 6623065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).