N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide

C23H22FN5OS — CID 17474976

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)CSc1nccn1-c1cccc(F)c1
InChIInChI=1S/C23H22FN5OS/c1-16-21(17(2)29(27-16)19-8-4-3-5-9-19)14-26-22(30)15-31-23-25-11-12-28(23)20-10-6-7-18(24)13-20/h3-13H,14-15H2,1-2H3,(H,26,30)
InChIKeyIADNPXPLMAEZIS-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.22
Rot. Bonds7

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 17474976) has the molecular formula C23H22FN5OS and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID17474976
Molecular FormulaC23H22FN5OS
Molecular Weight435.53 g/mol
Exact Mass435.15
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)CSc1nccn1-c1cccc(F)c1
InChIInChI=1S/C23H22FN5OS/c1-16-21(17(2)29(27-16)19-8-4-3-5-9-19)14-26-22(30)15-31-23-25-11-12-28(23)20-10-6-7-18(24)13-20/h3-13H,14-15H2,1-2H3,(H,26,30)
InChIKeyIADNPXPLMAEZIS-UHFFFAOYSA-N
XLogP4.22
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 4961838
N-(2-ethylphenyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 17487470
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 8010785
N-(2-bromo-4-methylphenyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 30063099
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 134013981
N-[(3-fluoro-4-methylphenyl)methyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 41472985
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-fluorophenyl)acetamide
CID 4055089
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide
CID 134013923
N-(1-adamantylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 30063411
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 17435567
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 41139369
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 8002445

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide (CID 17474976) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide is Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CSc1nccn1-c1cccc(F)c1.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is IADNPXPLMAEZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5OS/c1-16-21(17(2)29(27-16)19-8-4-3-5-9-19)14-26-22(30)15-31-23-25-11-12-28(23)20-10-6-7-18(24)13-20/h3-13H,14-15H2,1-2H3,(H,26,30).
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 435.53 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 17474976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).