N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide

C16H18FN3O2 — CID 90615133

IUPACN-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCn1ncc2c1CCOC2
InChIInChI=1S/C16H18FN3O2/c17-14-3-1-12(2-4-14)9-16(21)18-6-7-20-15-5-8-22-11-13(15)10-19-20/h1-4,10H,5-9,11H2,(H,18,21)
InChIKeyMODVXTBKSBYZMJ-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.45
Rot. Bonds5

About N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide

N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 90615133) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
PubChem CID90615133
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC NameN-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCn1ncc2c1CCOC2
InChIInChI=1S/C16H18FN3O2/c17-14-3-1-12(2-4-14)9-16(21)18-6-7-20-15-5-8-22-11-13(15)10-19-20/h1-4,10H,5-9,11H2,(H,18,21)
InChIKeyMODVXTBKSBYZMJ-UHFFFAOYSA-N
XLogP1.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide (CID 90615133) is N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)NCCn1ncc2c1CCOC2.
What is the InChIKey of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is MODVXTBKSBYZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c17-14-3-1-12(2-4-14)9-16(21)18-6-7-20-15-5-8-22-11-13(15)10-19-20/h1-4,10H,5-9,11H2,(H,18,21).
What are the key properties of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide?
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 303.34 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 90615133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).