N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-naphthalen-2-yloxyacetamide

C23H21N3O2 — CID 1300497

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-naphthalen-2-yloxyacetamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C23H21N3O2/c1-16-23(17(2)26(25-16)20-10-4-3-5-11-20)24-22(27)15-28-21-13-12-18-8-6-7-9-19(18)14-21/h3-14H,15H2,1-2H3,(H,24,27)
InChIKeyXOJZKBQRFDQLMF-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.66
Rot. Bonds5

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-naphthalen-2-yloxyacetamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-naphthalen-2-yloxyacetamide (PubChem CID 1300497) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-naphthalen-2-yloxyacetamide
PubChem CID1300497
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-naphthalen-2-yloxyacetamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C23H21N3O2/c1-16-23(17(2)26(25-16)20-10-4-3-5-11-20)24-22(27)15-28-21-13-12-18-8-6-7-9-19(18)14-21/h3-14H,15H2,1-2H3,(H,24,27)
InChIKeyXOJZKBQRFDQLMF-UHFFFAOYSA-N
XLogP4.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-naphthalen-2-yloxyacetamide (CID 1300497) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-naphthalen-2-yloxyacetamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc2ccccc2c1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-naphthalen-2-yloxyacetamide?
The InChIKey is XOJZKBQRFDQLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-16-23(17(2)26(25-16)20-10-4-3-5-11-20)24-22(27)15-28-21-13-12-18-8-6-7-9-19(18)14-21/h3-14H,15H2,1-2H3,(H,24,27).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-naphthalen-2-yloxyacetamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-naphthalen-2-yloxyacetamide has a molecular weight of 371.44 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 1300497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).