2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-morpholin-4-ylethanone

C17H19N3O3 — CID 20882096

IUPAC2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-morpholin-4-ylethanone
SMILESCc1ccc2c(c1)-c1c(cnn1CC(=O)N1CCOCC1)CO2
InChIInChI=1S/C17H19N3O3/c1-12-2-3-15-14(8-12)17-13(11-23-15)9-18-20(17)10-16(21)19-4-6-22-7-5-19/h2-3,8-9H,4-7,10-11H2,1H3
InChIKeyRHKSXQPEKXOHAT-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.61
Rot. Bonds2

About 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-morpholin-4-ylethanone

2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-morpholin-4-ylethanone (PubChem CID 20882096) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-morpholin-4-ylethanone
PubChem CID20882096
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-morpholin-4-ylethanone
SMILESCc1ccc2c(c1)-c1c(cnn1CC(=O)N1CCOCC1)CO2
InChIInChI=1S/C17H19N3O3/c1-12-2-3-15-14(8-12)17-13(11-23-15)9-18-20(17)10-16(21)19-4-6-22-7-5-19/h2-3,8-9H,4-7,10-11H2,1H3
InChIKeyRHKSXQPEKXOHAT-UHFFFAOYSA-N
XLogP1.61
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
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-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-morpholin-4-ylethanone (CID 20882096) is 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-morpholin-4-ylethanone is Cc1ccc2c(c1)-c1c(cnn1CC(=O)N1CCOCC1)CO2.
What is the InChIKey of 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-morpholin-4-ylethanone?
The InChIKey is RHKSXQPEKXOHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-2-3-15-14(8-12)17-13(11-23-15)9-18-20(17)10-16(21)19-4-6-22-7-5-19/h2-3,8-9H,4-7,10-11H2,1H3.
What are the key properties of 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-morpholin-4-ylethanone?
2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-morpholin-4-ylethanone has a molecular weight of 313.36 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 20882096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).