2-(2-fluorophenoxy)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide

C16H18FN3O3 — CID 71808474

IUPAC2-(2-fluorophenoxy)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide
SMILESCn1nc(CNC(=O)COc2ccccc2F)c2c1CCOC2
InChIInChI=1S/C16H18FN3O3/c1-20-14-6-7-22-9-11(14)13(19-20)8-18-16(21)10-23-15-5-3-2-4-12(15)17/h2-5H,6-10H2,1H3,(H,18,21)
InChIKeySVQVSMDJGFIKNP-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.33
Rot. Bonds5

About 2-(2-fluorophenoxy)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide

2-(2-fluorophenoxy)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide (PubChem CID 71808474) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide
PubChem CID71808474
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name2-(2-fluorophenoxy)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide
SMILESCn1nc(CNC(=O)COc2ccccc2F)c2c1CCOC2
InChIInChI=1S/C16H18FN3O3/c1-20-14-6-7-22-9-11(14)13(19-20)8-18-16(21)10-23-15-5-3-2-4-12(15)17/h2-5H,6-10H2,1H3,(H,18,21)
InChIKeySVQVSMDJGFIKNP-UHFFFAOYSA-N
XLogP1.33
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide (CID 71808474) is 2-(2-fluorophenoxy)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide is Cn1nc(CNC(=O)COc2ccccc2F)c2c1CCOC2.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide?
The InChIKey is SVQVSMDJGFIKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-20-14-6-7-22-9-11(14)13(19-20)8-18-16(21)10-23-15-5-3-2-4-12(15)17/h2-5H,6-10H2,1H3,(H,18,21).
What are the key properties of 2-(2-fluorophenoxy)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide?
2-(2-fluorophenoxy)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide has a molecular weight of 319.34 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 71808474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).