N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide

C23H20ClN3O2 — CID 19411380

IUPACN-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide
SMILESCc1cc(NC(=O)COc2ccc3ccccc3c2)nn1Cc1cccc(Cl)c1
InChIInChI=1S/C23H20ClN3O2/c1-16-11-22(26-27(16)14-17-5-4-8-20(24)12-17)25-23(28)15-29-21-10-9-18-6-2-3-7-19(18)13-21/h2-13H,14-15H2,1H3,(H,25,26,28)
InChIKeyWTGSPPNFNRIZCA-UHFFFAOYSA-N
MW405.89 g/mol
LogP5.06
Rot. Bonds6

About N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide

N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide (PubChem CID 19411380) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide
PubChem CID19411380
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC NameN-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide
SMILESCc1cc(NC(=O)COc2ccc3ccccc3c2)nn1Cc1cccc(Cl)c1
InChIInChI=1S/C23H20ClN3O2/c1-16-11-22(26-27(16)14-17-5-4-8-20(24)12-17)25-23(28)15-29-21-10-9-18-6-2-3-7-19(18)13-21/h2-13H,14-15H2,1H3,(H,25,26,28)
InChIKeyWTGSPPNFNRIZCA-UHFFFAOYSA-N
XLogP5.06
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.89
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 19411642
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19337089
2-(4-chlorophenoxy)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19392908
N-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-phenoxyacetamide
CID 6459561
N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-naphthalen-2-yloxyacetamide
CID 19411746
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide
CID 19411613
methyl 4-[[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]benzoate
CID 19411591
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide
CID 19411607
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19411503
N-(1-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 17052773
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19411485
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-fluorobenzamide
CID 19411471

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide (CID 19411380) is N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide is Cc1cc(NC(=O)COc2ccc3ccccc3c2)nn1Cc1cccc(Cl)c1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is WTGSPPNFNRIZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c1-16-11-22(26-27(16)14-17-5-4-8-20(24)12-17)25-23(28)15-29-21-10-9-18-6-2-3-7-19(18)13-21/h2-13H,14-15H2,1H3,(H,25,26,28).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide?
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 405.89 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 19411380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).