N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide

C11H10ClN3OS — CID 25260346

IUPACN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide
SMILESO=C(CS)Nc1cc(-c2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C11H10ClN3OS/c12-8-3-1-7(2-4-8)9-5-10(15-14-9)13-11(16)6-17/h1-5,17H,6H2,(H2,13,14,15,16)
InChIKeyJALQHWDJULITDF-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.60
Rot. Bonds3

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

N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide (PubChem CID 25260346) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide
PubChem CID25260346
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC NameN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide
SMILESO=C(CS)Nc1cc(-c2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C11H10ClN3OS/c12-8-3-1-7(2-4-8)9-5-10(15-14-9)13-11(16)6-17/h1-5,17H,6H2,(H2,13,14,15,16)
InChIKeyJALQHWDJULITDF-UHFFFAOYSA-N
XLogP2.60
TPSA57.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-3-phenylpropanamide
CID 10969426
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide
CID 855627
ethyl (E)-3-[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]amino]but-2-enoate
CID 786793
2,4-dichloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide
CID 5348678
3-(4-chlorophenyl)-N-(5-pyridazin-4-yl-1H-pyrazol-3-yl)propanamide
CID 166581481
5-(4-chlorophenyl)-N-propyl-1H-pyrazol-3-amine
CID 63048476
5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pentanamide
CID 59174008
(E)-3-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide
CID 118731079
1-(4-chlorophenyl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-methylpyrazole-4-carboxamide
CID 2738780
N-[4-(3-acetamido-1H-pyrazol-5-yl)phenyl]acetamide
CID 2268930
N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide
CID 167971745
N-(5-phenyl-1H-pyrazol-3-yl)butanamide
CID 110868179

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide (CID 25260346) is N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide is O=C(CS)Nc1cc(-c2ccc(Cl)cc2)[nH]n1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide?
The InChIKey is JALQHWDJULITDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c12-8-3-1-7(2-4-8)9-5-10(15-14-9)13-11(16)6-17/h1-5,17H,6H2,(H2,13,14,15,16).
What are the key properties of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide?
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide has a molecular weight of 267.74 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide is sourced from PubChem (CID 25260346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).