2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-ethylacetamide

C18H24N4O2 — CID 6622920

IUPAC2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-ethylacetamide
SMILESCCN(CCN(C)C)C(=O)Cn1ncc2c1-c1ccccc1OC2
InChIInChI=1S/C18H24N4O2/c1-4-21(10-9-20(2)3)17(23)12-22-18-14(11-19-22)13-24-16-8-6-5-7-15(16)18/h5-8,11H,4,9-10,12-13H2,1-3H3
InChIKeyVHLHWWPINZDERD-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.85
Rot. Bonds6

About 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-ethylacetamide

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-ethylacetamide (PubChem CID 6622920) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-ethylacetamide
PubChem CID6622920
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-ethylacetamide
SMILESCCN(CCN(C)C)C(=O)Cn1ncc2c1-c1ccccc1OC2
InChIInChI=1S/C18H24N4O2/c1-4-21(10-9-20(2)3)17(23)12-22-18-14(11-19-22)13-24-16-8-6-5-7-15(16)18/h5-8,11H,4,9-10,12-13H2,1-3H3
InChIKeyVHLHWWPINZDERD-UHFFFAOYSA-N
XLogP1.85
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.85
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)-N-[2-(dimethylamino)ethyl]-N-ethylacetamide?
The IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-ethylacetamide (CID 6622920) is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-ethylacetamide.
What is the SMILES notation for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-ethylacetamide?
The canonical SMILES for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-ethylacetamide is CCN(CCN(C)C)C(=O)Cn1ncc2c1-c1ccccc1OC2.
What is the InChIKey of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-ethylacetamide?
The InChIKey is VHLHWWPINZDERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-21(10-9-20(2)3)17(23)12-22-18-14(11-19-22)13-24-16-8-6-5-7-15(16)18/h5-8,11H,4,9-10,12-13H2,1-3H3.
What are the key properties of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-ethylacetamide?
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-ethylacetamide has a molecular weight of 328.42 g/mol, XLogP of 1.85, 6 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)-N-[2-(dimethylamino)ethyl]-N-ethylacetamide is sourced from PubChem (CID 6622920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).