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

C15H18ClN3OS — CID 115593045

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
SMILESCC(C)c1cc(NC(=O)CSCc2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C15H18ClN3OS/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)
InChIKeyLGJCZNGJRNDUIC-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.06
Rot. Bonds6

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

2-[(4-chlorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide (PubChem CID 115593045) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
PubChem CID115593045
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
SMILESCC(C)c1cc(NC(=O)CSCc2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C15H18ClN3OS/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)
InChIKeyLGJCZNGJRNDUIC-UHFFFAOYSA-N
XLogP4.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 115593063
3-(4-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 115776624
2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404950
2-[(4-chlorophenyl)methylsulfanyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 78927698
2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103722948
N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 2272588
2-(4-fluorophenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 47405014
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 115747739
5-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104617733
2-[(4-chlorophenyl)methylsulfanyl]-N-(3,5-dichloro-6-methyl-2-pyridinyl)acetamide
CID 16523750
3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 104618436
2-(3-hydroxyphenyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 112688408

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide (CID 115593045) is 2-[(4-chlorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide is CC(C)c1cc(NC(=O)CSCc2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
The InChIKey is LGJCZNGJRNDUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/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-chlorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
2-[(4-chlorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide has a molecular weight of 323.85 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 115593045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).