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

C18H22N4O2 — CID 5309010

IUPAC2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)Cn2ncc3c2-c2ccccc2OC3)CC1
InChIInChI=1S/C18H22N4O2/c1-2-20-7-9-21(10-8-20)17(23)12-22-18-14(11-19-22)13-24-16-6-4-3-5-15(16)18/h3-6,11H,2,7-10,12-13H2,1H3
InChIKeyQUTSVJYDOORMON-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.61
Rot. Bonds3

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

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 5309010) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
PubChem CID5309010
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)Cn2ncc3c2-c2ccccc2OC3)CC1
InChIInChI=1S/C18H22N4O2/c1-2-20-7-9-21(10-8-20)17(23)12-22-18-14(11-19-22)13-24-16-6-4-3-5-15(16)18/h3-6,11H,2,7-10,12-13H2,1H3
InChIKeyQUTSVJYDOORMON-UHFFFAOYSA-N
XLogP1.61
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone (CID 5309010) is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone is CCN1CCN(C(=O)Cn2ncc3c2-c2ccccc2OC3)CC1.
What is the InChIKey of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is QUTSVJYDOORMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-20-7-9-21(10-8-20)17(23)12-22-18-14(11-19-22)13-24-16-6-4-3-5-15(16)18/h3-6,11H,2,7-10,12-13H2,1H3.
What are the key properties of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone?
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 326.40 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 5309010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).