N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(methoxymethyl)phenyl]sulfanylacetamide

C15H19N3O2S — CID 71924247

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(methoxymethyl)phenyl]sulfanylacetamide
SMILESCOCc1ccc(SCC(=O)Nc2c(C)n[nH]c2C)cc1
InChIInChI=1S/C15H19N3O2S/c1-10-15(11(2)18-17-10)16-14(19)9-21-13-6-4-12(5-7-13)8-20-3/h4-7H,8-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyFYGSJSUBJOSLJG-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.90
Rot. Bonds6

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(methoxymethyl)phenyl]sulfanylacetamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(methoxymethyl)phenyl]sulfanylacetamide (PubChem CID 71924247) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(methoxymethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(methoxymethyl)phenyl]sulfanylacetamide
PubChem CID71924247
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(methoxymethyl)phenyl]sulfanylacetamide
SMILESCOCc1ccc(SCC(=O)Nc2c(C)n[nH]c2C)cc1
InChIInChI=1S/C15H19N3O2S/c1-10-15(11(2)18-17-10)16-14(19)9-21-13-6-4-12(5-7-13)8-20-3/h4-7H,8-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyFYGSJSUBJOSLJG-UHFFFAOYSA-N
XLogP2.90
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 54910799
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-fluorophenyl)sulfanylacetamide
CID 4791415
2-(4-aminophenyl)sulfanyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 43299294
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylsulfanyl)acetamide
CID 43546877
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophen-2-ylsulfanylacetamide
CID 43546433
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 43402634
2-[bis(4-fluorophenyl)methylsulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 112777242
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 112786995
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-indol-6-yl)acetamide
CID 112525224
2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]sulfanylpyridine-4-carboxylic acid
CID 61300317
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4825893
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-hydroxyphenoxy)acetamide
CID 43546519

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(methoxymethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(methoxymethyl)phenyl]sulfanylacetamide (CID 71924247) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(methoxymethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(methoxymethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(methoxymethyl)phenyl]sulfanylacetamide is COCc1ccc(SCC(=O)Nc2c(C)n[nH]c2C)cc1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(methoxymethyl)phenyl]sulfanylacetamide?
The InChIKey is FYGSJSUBJOSLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-15(11(2)18-17-10)16-14(19)9-21-13-6-4-12(5-7-13)8-20-3/h4-7H,8-9H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(methoxymethyl)phenyl]sulfanylacetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(methoxymethyl)phenyl]sulfanylacetamide has a molecular weight of 305.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(methoxymethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 71924247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).