N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-methylsulfanylbenzamide

C24H23N3OS — CID 45235266

IUPACN-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC(C)c1cnn(-c2cccc3ccccc23)c1C
InChIInChI=1S/C24H23N3OS/c1-16(26-24(28)20-12-6-7-14-23(20)29-3)21-15-25-27(17(21)2)22-13-8-10-18-9-4-5-11-19(18)22/h4-16H,1-3H3,(H,26,28)
InChIKeyLMCFPRXDQRAFJF-UHFFFAOYSA-N
MW401.54 g/mol
LogP5.55
Rot. Bonds5

About N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-methylsulfanylbenzamide

N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-methylsulfanylbenzamide (PubChem CID 45235266) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-methylsulfanylbenzamide
PubChem CID45235266
Molecular FormulaC24H23N3OS
Molecular Weight401.54 g/mol
Exact Mass401.16
IUPAC NameN-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC(C)c1cnn(-c2cccc3ccccc23)c1C
InChIInChI=1S/C24H23N3OS/c1-16(26-24(28)20-12-6-7-14-23(20)29-3)21-15-25-27(17(21)2)22-13-8-10-18-9-4-5-11-19(18)22/h4-16H,1-3H3,(H,26,28)
InChIKeyLMCFPRXDQRAFJF-UHFFFAOYSA-N
XLogP5.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]acetamide
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N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-oxobutanamide
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4-methyl-N-[(1R)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide
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3-methoxy-N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]propanamide
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N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
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N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-propoxyacetamide
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ethyl 2-[[(1R)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]carbamoylamino]acetate
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N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-morpholin-4-ylbenzamide
CID 42518205
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]propanamide
CID 25280971
N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-methylsulfanylacetamide
CID 26332266
(1R)-N-[(2-fluorophenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-methylsulfanylbenzamide (CID 45235266) is N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NC(C)c1cnn(-c2cccc3ccccc23)c1C.
What is the InChIKey of N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-methylsulfanylbenzamide?
The InChIKey is LMCFPRXDQRAFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS/c1-16(26-24(28)20-12-6-7-14-23(20)29-3)21-15-25-27(17(21)2)22-13-8-10-18-9-4-5-11-19(18)22/h4-16H,1-3H3,(H,26,28).
What are the key properties of N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-methylsulfanylbenzamide?
N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-methylsulfanylbenzamide has a molecular weight of 401.54 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 45235266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).