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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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
N-(2-acetamidoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 122657485
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
N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5308627
Ethyl 4-(2-{1H,4H-chromeno[4,3-C]pyrazol-1-YL}acetyl)piperazine-1-carboxylate
CID 5308791
N-[(3-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309499
1-[2-(Azepan-1-yl)-2-oxoethyl]-8-methylchromeno[4,3-c]pyrazol-4-one
CID 5309702
N-(3-chlorophenyl)-2-chromeno[4,3-c]pyrazol-1(4H)-ylacetamide
CID 9550923

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).