2-[(4-fluorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide

C15H18FN3OS — CID 115593063

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
SMILESCC(C)c1cc(NC(=O)CSCc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C15H18FN3OS/c1-10(2)13-7-14(19-18-13)17-15(20)9-21-8-11-3-5-12(16)6-4-11/h3-7,10H,8-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyIZHIIRANYAIDKM-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.54
Rot. Bonds6

About 2-[(4-fluorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide

2-[(4-fluorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide (PubChem CID 115593063) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
PubChem CID115593063
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
SMILESCC(C)c1cc(NC(=O)CSCc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C15H18FN3OS/c1-10(2)13-7-14(19-18-13)17-15(20)9-21-8-11-3-5-12(16)6-4-11/h3-7,10H,8-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyIZHIIRANYAIDKM-UHFFFAOYSA-N
XLogP3.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 115593045
2-(4-fluorophenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 47405014
2-[(4-fluorophenyl)methylsulfanyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 78927587
2-[(4-fluorophenyl)methylsulfanyl]-N-(3-propan-2-yloxyphenyl)acetamide
CID 38019493
4,4,4-trifluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 113245549
3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 104618436
5-(difluoromethylsulfanylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide
CID 115592978
2-[(4-fluorophenyl)methylsulfanyl]-N-(4-hydroxybutan-2-yl)acetamide
CID 115283509
2-[(4-fluorophenyl)methylsulfanyl]-N-(4-hydroxypentyl)acetamide
CID 107299863
N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-thiophen-3-ylacetamide
CID 47404938
2-(3-hydroxyphenyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 112688408
4-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104618390

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide (CID 115593063) is 2-[(4-fluorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide is CC(C)c1cc(NC(=O)CSCc2ccc(F)cc2)n[nH]1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
The InChIKey is IZHIIRANYAIDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c1-10(2)13-7-14(19-18-13)17-15(20)9-21-8-11-3-5-12(16)6-4-11/h3-7,10H,8-9H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
2-[(4-fluorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide has a molecular weight of 307.39 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 115593063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).