N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-5-methylfuran-2-carboxamide

C16H21N3O4 — CID 97382366

IUPACN-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-5-methylfuran-2-carboxamide
SMILESCOCCn1cc2c(n1)[C@@H](CNC(=O)c1ccc(C)o1)OCC2
InChIInChI=1S/C16H21N3O4/c1-11-3-4-13(23-11)16(20)17-9-14-15-12(5-7-22-14)10-19(18-15)6-8-21-2/h3-4,10,14H,5-9H2,1-2H3,(H,17,20)/t14-/m1/s1
InChIKeyIRWVWIYASJEDFM-CQSZACIVSA-N
MW319.36 g/mol
LogP1.47
Rot. Bonds6

About N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-5-methylfuran-2-carboxamide

N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-5-methylfuran-2-carboxamide (PubChem CID 97382366) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-5-methylfuran-2-carboxamide
PubChem CID97382366
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC NameN-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-5-methylfuran-2-carboxamide
SMILESCOCCn1cc2c(n1)[C@@H](CNC(=O)c1ccc(C)o1)OCC2
InChIInChI=1S/C16H21N3O4/c1-11-3-4-13(23-11)16(20)17-9-14-15-12(5-7-22-14)10-19(18-15)6-8-21-2/h3-4,10,14H,5-9H2,1-2H3,(H,17,20)/t14-/m1/s1
InChIKeyIRWVWIYASJEDFM-CQSZACIVSA-N
XLogP1.47
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-5-methylfuran-2-carboxamide (CID 97382366) is N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-5-methylfuran-2-carboxamide is COCCn1cc2c(n1)[C@@H](CNC(=O)c1ccc(C)o1)OCC2.
What is the InChIKey of N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-5-methylfuran-2-carboxamide?
The InChIKey is IRWVWIYASJEDFM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-11-3-4-13(23-11)16(20)17-9-14-15-12(5-7-22-14)10-19(18-15)6-8-21-2/h3-4,10,14H,5-9H2,1-2H3,(H,17,20)/t14-/m1/s1.
What are the key properties of N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-5-methylfuran-2-carboxamide?
N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-5-methylfuran-2-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7R)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 97382366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).