N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide

C22H18FN3O2 — CID 35534820

IUPACN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide
SMILESCc1cc(NC(=O)COc2ccc3ccccc3c2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H18FN3O2/c1-15-12-21(26(25-15)19-9-7-18(23)8-10-19)24-22(27)14-28-20-11-6-16-4-2-3-5-17(16)13-20/h2-13H,14H2,1H3,(H,24,27)
InChIKeyASNBTJWDJNOYBZ-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.49
Rot. Bonds5

About N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide (PubChem CID 35534820) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide
PubChem CID35534820
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide
SMILESCc1cc(NC(=O)COc2ccc3ccccc3c2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H18FN3O2/c1-15-12-21(26(25-15)19-9-7-18(23)8-10-19)24-22(27)14-28-20-11-6-16-4-2-3-5-17(16)13-20/h2-13H,14H2,1H3,(H,24,27)
InChIKeyASNBTJWDJNOYBZ-UHFFFAOYSA-N
XLogP4.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide (CID 35534820) is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide is Cc1cc(NC(=O)COc2ccc3ccccc3c2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is ASNBTJWDJNOYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-15-12-21(26(25-15)19-9-7-18(23)8-10-19)24-22(27)14-28-20-11-6-16-4-2-3-5-17(16)13-20/h2-13H,14H2,1H3,(H,24,27).
What are the key properties of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide?
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 375.40 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 35534820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).