N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide

C24H22FN3O2 — CID 19409577

IUPACN-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide
SMILESCc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C24H22FN3O2/c1-16-24(17(2)28(27-16)14-18-7-10-21(25)11-8-18)26-23(29)15-30-22-12-9-19-5-3-4-6-20(19)13-22/h3-13H,14-15H2,1-2H3,(H,26,29)
InChIKeyNCDUAMLFIAOFSI-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.86
Rot. Bonds6

About N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide

N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide (PubChem CID 19409577) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide
PubChem CID19409577
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC NameN-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide
SMILESCc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C24H22FN3O2/c1-16-24(17(2)28(27-16)14-18-7-10-21(25)11-8-18)26-23(29)15-30-22-12-9-19-5-3-4-6-20(19)13-22/h3-13H,14-15H2,1-2H3,(H,26,29)
InChIKeyNCDUAMLFIAOFSI-UHFFFAOYSA-N
XLogP4.86
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide (CID 19409577) is N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide is Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)COc1ccc2ccccc2c1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is NCDUAMLFIAOFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c1-16-24(17(2)28(27-16)14-18-7-10-21(25)11-8-18)26-23(29)15-30-22-12-9-19-5-3-4-6-20(19)13-22/h3-13H,14-15H2,1-2H3,(H,26,29).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide?
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 403.46 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 19409577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).