2-[2-(3-fluorophenyl)ethoxy]-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide

C16H18FN3O3 — CID 167756632

IUPAC2-[2-(3-fluorophenyl)ethoxy]-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide
SMILESO=C(COCCc1cccc(F)c1)Nc1n[nH]c2c1COCC2
InChIInChI=1S/C16H18FN3O3/c17-12-3-1-2-11(8-12)4-6-23-10-15(21)18-16-13-9-22-7-5-14(13)19-20-16/h1-3,8H,4-7,9-10H2,(H2,18,19,20,21)
InChIKeyJYZWRLLHOGYWBY-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.82
Rot. Bonds6

About 2-[2-(3-fluorophenyl)ethoxy]-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide

2-[2-(3-fluorophenyl)ethoxy]-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide (PubChem CID 167756632) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)ethoxy]-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)ethoxy]-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide
PubChem CID167756632
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name2-[2-(3-fluorophenyl)ethoxy]-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide
SMILESO=C(COCCc1cccc(F)c1)Nc1n[nH]c2c1COCC2
InChIInChI=1S/C16H18FN3O3/c17-12-3-1-2-11(8-12)4-6-23-10-15(21)18-16-13-9-22-7-5-14(13)19-20-16/h1-3,8H,4-7,9-10H2,(H2,18,19,20,21)
InChIKeyJYZWRLLHOGYWBY-UHFFFAOYSA-N
XLogP1.82
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylphenyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide
CID 167925151
1-[3-(2,2-difluoroethyl)phenyl]-3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)urea
CID 166303044
1-(3-chloro-2,5-difluorophenyl)-3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)urea
CID 166349854
N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-(oxolan-3-ylmethoxy)acetamide
CID 126770273
3-[2-(3-fluorophenyl)ethoxy]propanoic acid
CID 59296248
2-[2-[(3-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 61328410
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide
CID 55761188
N-(3-acetylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 84578006
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2-phenylethoxy)acetamide
CID 86871760
2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736416
N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-phenoxyethoxy)acetamide
CID 94806016
N-[2-(1,3-dioxan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide
CID 110669263

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)ethoxy]-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide?
The IUPAC name of 2-[2-(3-fluorophenyl)ethoxy]-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide (CID 167756632) is 2-[2-(3-fluorophenyl)ethoxy]-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-(3-fluorophenyl)ethoxy]-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[2-(3-fluorophenyl)ethoxy]-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide is O=C(COCCc1cccc(F)c1)Nc1n[nH]c2c1COCC2.
What is the InChIKey of 2-[2-(3-fluorophenyl)ethoxy]-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide?
The InChIKey is JYZWRLLHOGYWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c17-12-3-1-2-11(8-12)4-6-23-10-15(21)18-16-13-9-22-7-5-14(13)19-20-16/h1-3,8H,4-7,9-10H2,(H2,18,19,20,21).
What are the key properties of 2-[2-(3-fluorophenyl)ethoxy]-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide?
2-[2-(3-fluorophenyl)ethoxy]-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide has a molecular weight of 319.34 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)ethoxy]-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide is sourced from PubChem (CID 167756632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).