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

C24H22FN3O2 — CID 19408058

IUPACN-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide
SMILESCc1nn(Cc2ccccc2F)c(C)c1NC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C24H22FN3O2/c1-16-24(17(2)28(27-16)14-20-9-5-6-10-22(20)25)26-23(29)15-30-21-12-11-18-7-3-4-8-19(18)13-21/h3-13H,14-15H2,1-2H3,(H,26,29)
InChIKeySLYPXNHTCWQDJS-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.86
Rot. Bonds6

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

N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide (PubChem CID 19408058) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide
PubChem CID19408058
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC NameN-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide
SMILESCc1nn(Cc2ccccc2F)c(C)c1NC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C24H22FN3O2/c1-16-24(17(2)28(27-16)14-20-9-5-6-10-22(20)25)26-23(29)15-30-21-12-11-18-7-3-4-8-19(18)13-21/h3-13H,14-15H2,1-2H3,(H,26,29)
InChIKeySLYPXNHTCWQDJS-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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Related Compounds

6-[5-(4-Fluorophenyl)-1,3-dimethyl-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one
CID 45275745
6-[5-(4-Fluorophenyl)-3-methyl-1-(2-methylpropyl)-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one
CID 59281281
6-[1-ethyl-5-(4-fluorophenyl)-3-methylpyrazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 59281329
6-[5-(4-fluorophenyl)-3-methyl-1-propylpyrazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 59281354
6-[5-(4-fluorophenyl)-3-methyl-1-(4,4,4-trifluorobutyl)pyrazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 59281363
6-[1-(3,3-difluorobutyl)-5-(4-fluorophenyl)-3-methylpyrazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 59281412
3-[5-(4-fluorophenyl)-3-methyl-4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrazol-1-yl]propanenitrile
CID 59281416
6-[5-(4-fluorophenyl)-1-(4-hydroxybutyl)-3-methyl-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one
CID 59281447
6-[5-(4-fluorophenyl)-1-(3-hydroxypropyl)-3-methylpyrazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 59281531
6-[1-Butyl-5-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one
CID 59281540
6-[1-Benzyl-5-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one
CID 59281541
6-[5-(2,4-difluorophenyl)-1,3-dimethylpyrazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 59281599

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide (CID 19408058) is N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide is Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)COc1ccc2ccccc2c1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is SLYPXNHTCWQDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c1-16-24(17(2)28(27-16)14-20-9-5-6-10-22(20)25)26-23(29)15-30-21-12-11-18-7-3-4-8-19(18)13-21/h3-13H,14-15H2,1-2H3,(H,26,29).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide?
N-[1-[(2-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-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 19408058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).