N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide

C23H25N3O3 — CID 41320127

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)COc1cccc2c1CCC[C@@H]2O
InChIInChI=1S/C23H25N3O3/c1-15-23(16(2)26(25-15)17-8-4-3-5-9-17)24-22(28)14-29-21-13-7-10-18-19(21)11-6-12-20(18)27/h3-5,7-10,13,20,27H,6,11-12,14H2,1-2H3,(H,24,28)/t20-/m0/s1
InChIKeyAZEFLXCSMPWQDX-FQEVSTJZSA-N
MW391.47 g/mol
LogP3.88
Rot. Bonds5

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide (PubChem CID 41320127) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
PubChem CID41320127
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)COc1cccc2c1CCC[C@@H]2O
InChIInChI=1S/C23H25N3O3/c1-15-23(16(2)26(25-15)17-8-4-3-5-9-17)24-22(28)14-29-21-13-7-10-18-19(21)11-6-12-20(18)27/h3-5,7-10,13,20,27H,6,11-12,14H2,1-2H3,(H,24,28)/t20-/m0/s1
InChIKeyAZEFLXCSMPWQDX-FQEVSTJZSA-N
XLogP3.88
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899606
N-(2,6-diethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899618
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 24667503
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-(2-propan-2-ylphenyl)acetamide
CID 42899623
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(2-methyl-3-nitrophenoxy)acetamide
CID 55867965
N-(3-fluoro-4-methylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899587
N-(2,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921750
2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-N-(4-propan-2-ylphenyl)acetamide
CID 39921821
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-phenoxyacetamide
CID 42989450
N-(3,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921920
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 78767051
N-(3-chlorophenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921895

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide (CID 41320127) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1cccc2c1CCC[C@@H]2O.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide?
The InChIKey is AZEFLXCSMPWQDX-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-23(16(2)26(25-15)17-8-4-3-5-9-17)24-22(28)14-29-21-13-7-10-18-19(21)11-6-12-20(18)27/h3-5,7-10,13,20,27H,6,11-12,14H2,1-2H3,(H,24,28)/t20-/m0/s1.
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide has a molecular weight of 391.47 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide is sourced from PubChem (CID 41320127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).