2-(2,5-dimethylphenyl)sulfanyl-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide

C20H20FN3OS — CID 2348506

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1ccc(C)c(SCC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1
InChIInChI=1S/C20H20FN3OS/c1-13-4-5-14(2)18(10-13)26-12-20(25)22-19-11-15(3)23-24(19)17-8-6-16(21)7-9-17/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyZYDMYIAAXOTANW-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.67
Rot. Bonds5

About 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide

2-(2,5-dimethylphenyl)sulfanyl-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide (PubChem CID 2348506) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide
PubChem CID2348506
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1ccc(C)c(SCC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1
InChIInChI=1S/C20H20FN3OS/c1-13-4-5-14(2)18(10-13)26-12-20(25)22-19-11-15(3)23-24(19)17-8-6-16(21)7-9-17/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyZYDMYIAAXOTANW-UHFFFAOYSA-N
XLogP4.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 3340822
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 4335648
N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 5159937
N-[(4-fluorophenyl)methyl]-2-[2-oxo-2-[[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]amino]ethyl]sulfanylacetamide
CID 135185931
N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 4075206
N-(2-(4-fluorophenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)pivalamide
CID 4110361
N-(2-(4-fluorophenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)isobutyramide
CID 5204594
N-(2-(4-fluorophenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3-methylbutanamide
CID 5222682
3-Methyl-1-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]-1H,4H,6H,7H,8H-pyrazolo[3,4-E][1,4]thiazepin-7-one
CID 135546836
3-Methyl-1-(4-methylphenyl)-4-(thiophen-3-YL)-1H,4H,6H,7H,8H-pyrazolo[3,4-E][1,4]thiazepin-7-one
CID 135823711
(4R,6S)-3,6-dimethyl-1-(2-methylphenyl)-4-(4-phenylphenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 136254243
N-{1-(4-fluorophenyl)-5-[4-(methylsulfonyl)phenyl]-3-pyrazolyl}acetamide
CID 10619341

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide (CID 2348506) is 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide is Cc1ccc(C)c(SCC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide?
The InChIKey is ZYDMYIAAXOTANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-13-4-5-14(2)18(10-13)26-12-20(25)22-19-11-15(3)23-24(19)17-8-6-16(21)7-9-17/h4-11H,12H2,1-3H3,(H,22,25).
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide?
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 2348506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).