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

C16H19N3O2 — CID 5307988

IUPAC2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1ncc2c1-c1ccccc1OC2
InChIInChI=1S/C16H19N3O2/c1-3-18(4-2)15(20)10-19-16-12(9-17-19)11-21-14-8-6-5-7-13(14)16/h5-9H,3-4,10-11H2,1-2H3
InChIKeyJSFROBRDZNMQLU-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.31
Rot. Bonds4

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

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N,N-diethylacetamide (PubChem CID 5307988) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N,N-diethylacetamide
PubChem CID5307988
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1ncc2c1-c1ccccc1OC2
InChIInChI=1S/C16H19N3O2/c1-3-18(4-2)15(20)10-19-16-12(9-17-19)11-21-14-8-6-5-7-13(14)16/h5-9H,3-4,10-11H2,1-2H3
InChIKeyJSFROBRDZNMQLU-UHFFFAOYSA-N
XLogP2.31
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N,N-diethylacetamide (CID 5307988) is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N,N-diethylacetamide is CCN(CC)C(=O)Cn1ncc2c1-c1ccccc1OC2.
What is the InChIKey of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N,N-diethylacetamide?
The InChIKey is JSFROBRDZNMQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-18(4-2)15(20)10-19-16-12(9-17-19)11-21-14-8-6-5-7-13(14)16/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N,N-diethylacetamide?
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N,N-diethylacetamide has a molecular weight of 285.35 g/mol, XLogP of 2.31, 4 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)-N,N-diethylacetamide is sourced from PubChem (CID 5307988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).