3-(4-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide

C15H18ClN3OS — CID 115776624

IUPAC3-(4-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
SMILESCC(C)c1cc(NC(=O)CCSc2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C15H18ClN3OS/c1-10(2)13-9-14(19-18-13)17-15(20)7-8-21-12-5-3-11(16)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H2,17,18,19,20)
InChIKeyMKYLAYLXYLUQDA-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.31
Rot. Bonds6

About 3-(4-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide

3-(4-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide (PubChem CID 115776624) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
PubChem CID115776624
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
SMILESCC(C)c1cc(NC(=O)CCSc2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C15H18ClN3OS/c1-10(2)13-9-14(19-18-13)17-15(20)7-8-21-12-5-3-11(16)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H2,17,18,19,20)
InChIKeyMKYLAYLXYLUQDA-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 104619798
3-(4-chlorophenyl)sulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
CID 115776629
2-(4-fluorophenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 47405014
2-[(4-chlorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 115593045
5-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104617733
3-(4-chlorophenyl)sulfanyl-N-(4,6-dimethylpyrimidin-2-yl)propanamide
CID 17257510
6-oxo-6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]hexanoic acid
CID 104617331
3-(4-chlorophenyl)sulfanyl-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)propanamide
CID 104817943
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 115747739
4-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104618390
N-(5-ethyl-1H-pyrazol-3-yl)-3-phenylsulfanylpropanamide
CID 104619671
3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 104619822

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide (CID 115776624) is 3-(4-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide is CC(C)c1cc(NC(=O)CCSc2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide?
The InChIKey is MKYLAYLXYLUQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-10(2)13-9-14(19-18-13)17-15(20)7-8-21-12-5-3-11(16)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide?
3-(4-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide has a molecular weight of 323.85 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 115776624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).