N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(furan-2-ylmethylsulfanyl)acetamide

C18H19N3O2S — CID 112780903

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(furan-2-ylmethylsulfanyl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CSCc1ccco1
InChIInChI=1S/C18H19N3O2S/c1-13-18(14(2)21(20-13)15-7-4-3-5-8-15)19-17(22)12-24-11-16-9-6-10-23-16/h3-10H,11-12H2,1-2H3,(H,19,22)
InChIKeyLXMAJECZDFJJQB-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.95
Rot. Bonds6

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(furan-2-ylmethylsulfanyl)acetamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(furan-2-ylmethylsulfanyl)acetamide (PubChem CID 112780903) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(furan-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(furan-2-ylmethylsulfanyl)acetamide
PubChem CID112780903
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(furan-2-ylmethylsulfanyl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CSCc1ccco1
InChIInChI=1S/C18H19N3O2S/c1-13-18(14(2)21(20-13)15-7-4-3-5-8-15)19-17(22)12-24-11-16-9-6-10-23-16/h3-10H,11-12H2,1-2H3,(H,19,22)
InChIKeyLXMAJECZDFJJQB-UHFFFAOYSA-N
XLogP3.95
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(furan-2-yl)acetate
CID 134405507
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide
CID 78762299
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528207
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 24587232
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 9034424
N-[2,6-di(propan-2-yl)phenyl]-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780802
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 40577688
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9102498
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755862
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755864
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-ethylphenyl)acetamide
CID 99632483
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 8004774

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(furan-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(furan-2-ylmethylsulfanyl)acetamide (CID 112780903) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(furan-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(furan-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(furan-2-ylmethylsulfanyl)acetamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSCc1ccco1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(furan-2-ylmethylsulfanyl)acetamide?
The InChIKey is LXMAJECZDFJJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13-18(14(2)21(20-13)15-7-4-3-5-8-15)19-17(22)12-24-11-16-9-6-10-23-16/h3-10H,11-12H2,1-2H3,(H,19,22).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(furan-2-ylmethylsulfanyl)acetamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(furan-2-ylmethylsulfanyl)acetamide has a molecular weight of 341.44 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 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-(furan-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 112780903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).