4-[(4-chlorophenyl)sulfanylmethyl]-N-(3-pyrazol-1-ylpropyl)benzamide

C20H20ClN3OS — CID 37393942

IUPAC4-[(4-chlorophenyl)sulfanylmethyl]-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1cccn1)c1ccc(CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H20ClN3OS/c21-18-7-9-19(10-8-18)26-15-16-3-5-17(6-4-16)20(25)22-11-1-13-24-14-2-12-23-24/h2-10,12,14H,1,11,13,15H2,(H,22,25)
InChIKeyPDIURABXQBWMOA-UHFFFAOYSA-N
MW385.92 g/mol
LogP4.65
Rot. Bonds8

About 4-[(4-chlorophenyl)sulfanylmethyl]-N-(3-pyrazol-1-ylpropyl)benzamide

4-[(4-chlorophenyl)sulfanylmethyl]-N-(3-pyrazol-1-ylpropyl)benzamide (PubChem CID 37393942) has the molecular formula C20H20ClN3OS and a molecular weight of 385.92 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfanylmethyl]-N-(3-pyrazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfanylmethyl]-N-(3-pyrazol-1-ylpropyl)benzamide
PubChem CID37393942
Molecular FormulaC20H20ClN3OS
Molecular Weight385.92 g/mol
Exact Mass385.10
IUPAC Name4-[(4-chlorophenyl)sulfanylmethyl]-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1cccn1)c1ccc(CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H20ClN3OS/c21-18-7-9-19(10-8-18)26-15-16-3-5-17(6-4-16)20(25)22-11-1-13-24-14-2-12-23-24/h2-10,12,14H,1,11,13,15H2,(H,22,25)
InChIKeyPDIURABXQBWMOA-UHFFFAOYSA-N
XLogP4.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.92
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
5,6-dichloro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 112684462
N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167
2-[[[2-(4-chlorophenyl)sulfanylethylamino]-(3-pyrazol-1-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111842810
N-[2-(4-chlorophenyl)sulfanylethyl]-4-pyrazol-1-ylbenzamide
CID 9259084
4-[(2,6-dimethylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332359
4-bromo-N-[3-oxo-3-(3-pyrazol-1-ylpropylamino)propyl]benzamide
CID 37394498
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 43908168
N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 111429668
2-(4-chlorophenyl)sulfanyl-5-nitro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394669
N-(2-amino-2-methylpropyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 119628946
4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 4862990

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-N-(3-pyrazol-1-ylpropyl)benzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-N-(3-pyrazol-1-ylpropyl)benzamide (CID 37393942) is 4-[(4-chlorophenyl)sulfanylmethyl]-N-(3-pyrazol-1-ylpropyl)benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfanylmethyl]-N-(3-pyrazol-1-ylpropyl)benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfanylmethyl]-N-(3-pyrazol-1-ylpropyl)benzamide is O=C(NCCCn1cccn1)c1ccc(CSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfanylmethyl]-N-(3-pyrazol-1-ylpropyl)benzamide?
The InChIKey is PDIURABXQBWMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3OS/c21-18-7-9-19(10-8-18)26-15-16-3-5-17(6-4-16)20(25)22-11-1-13-24-14-2-12-23-24/h2-10,12,14H,1,11,13,15H2,(H,22,25).
What are the key properties of 4-[(4-chlorophenyl)sulfanylmethyl]-N-(3-pyrazol-1-ylpropyl)benzamide?
4-[(4-chlorophenyl)sulfanylmethyl]-N-(3-pyrazol-1-ylpropyl)benzamide has a molecular weight of 385.92 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfanylmethyl]-N-(3-pyrazol-1-ylpropyl)benzamide is sourced from PubChem (CID 37393942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).