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

C15H18ClN3OS — CID 115621102

IUPAC2-(4-chlorophenyl)sulfanyl-N-(5-propyl-1H-pyrazol-3-yl)propanamide
SMILESCCCc1cc(NC(=O)C(C)Sc2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C15H18ClN3OS/c1-3-4-12-9-14(19-18-12)17-15(20)10(2)21-13-7-5-11(16)6-8-13/h5-10H,3-4H2,1-2H3,(H2,17,18,19,20)
InChIKeyVDIQFBPPUJAOKR-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.13
Rot. Bonds6

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

2-(4-chlorophenyl)sulfanyl-N-(5-propyl-1H-pyrazol-3-yl)propanamide (PubChem CID 115621102) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(5-propyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(5-propyl-1H-pyrazol-3-yl)propanamide
PubChem CID115621102
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(5-propyl-1H-pyrazol-3-yl)propanamide
SMILESCCCc1cc(NC(=O)C(C)Sc2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C15H18ClN3OS/c1-3-4-12-9-14(19-18-12)17-15(20)10(2)21-13-7-5-11(16)6-8-13/h5-10H,3-4H2,1-2H3,(H2,17,18,19,20)
InChIKeyVDIQFBPPUJAOKR-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115619793
2-(2-chlorophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 115619839
3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
CID 115619770
2-(4-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 115609317
2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115619750
1-N,4-N-bis(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.2]octane-1,4-dicarboxamide
CID 166234540
4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115621244
3-(4-chlorophenyl)sulfanyl-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
CID 115776629
2-(4-chlorophenyl)sulfanyl-N-(3,5-difluorophenyl)propanamide
CID 24556344
2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 2865350
3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 104617718
4-chloro-6-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 103803878

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(5-propyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(5-propyl-1H-pyrazol-3-yl)propanamide (CID 115621102) is 2-(4-chlorophenyl)sulfanyl-N-(5-propyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(5-propyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(5-propyl-1H-pyrazol-3-yl)propanamide is CCCc1cc(NC(=O)C(C)Sc2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(5-propyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is VDIQFBPPUJAOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-3-4-12-9-14(19-18-12)17-15(20)10(2)21-13-7-5-11(16)6-8-13/h5-10H,3-4H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(5-propyl-1H-pyrazol-3-yl)propanamide?
2-(4-chlorophenyl)sulfanyl-N-(5-propyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 323.85 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(5-propyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 115621102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).