N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylpyrazol-1-yl)acetamide

C17H19F2N3O2 — CID 71935404

IUPACN-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)NC2CCCc3cc(OC(F)F)ccc32)c1
InChIInChI=1S/C17H19F2N3O2/c1-11-8-20-22(9-11)10-16(23)21-15-4-2-3-12-7-13(24-17(18)19)5-6-14(12)15/h5-9,15,17H,2-4,10H2,1H3,(H,21,23)
InChIKeyAZURJIZTNZQGAZ-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.99
Rot. Bonds5

About N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylpyrazol-1-yl)acetamide

N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylpyrazol-1-yl)acetamide (PubChem CID 71935404) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylpyrazol-1-yl)acetamide
PubChem CID71935404
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC NameN-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)NC2CCCc3cc(OC(F)F)ccc32)c1
InChIInChI=1S/C17H19F2N3O2/c1-11-8-20-22(9-11)10-16(23)21-15-4-2-3-12-7-13(24-17(18)19)5-6-14(12)15/h5-9,15,17H,2-4,10H2,1H3,(H,21,23)
InChIKeyAZURJIZTNZQGAZ-UHFFFAOYSA-N
XLogP2.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylpyrazol-1-yl)acetamide (CID 71935404) is N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylpyrazol-1-yl)acetamide is Cc1cnn(CC(=O)NC2CCCc3cc(OC(F)F)ccc32)c1.
What is the InChIKey of N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylpyrazol-1-yl)acetamide?
The InChIKey is AZURJIZTNZQGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-11-8-20-22(9-11)10-16(23)21-15-4-2-3-12-7-13(24-17(18)19)5-6-14(12)15/h5-9,15,17H,2-4,10H2,1H3,(H,21,23).
What are the key properties of N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylpyrazol-1-yl)acetamide?
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylpyrazol-1-yl)acetamide has a molecular weight of 335.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 71935404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).