5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)pentanamide

C14H15Cl2N3O — CID 60933767

IUPAC5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)pentanamide
SMILESO=C(CCCCCl)Nc1cccc(Cl)c1-n1cccn1
InChIInChI=1S/C14H15Cl2N3O/c15-8-2-1-7-13(20)18-12-6-3-5-11(16)14(12)19-10-4-9-17-19/h3-6,9-10H,1-2,7-8H2,(H,18,20)
InChIKeyPMROXNFXWIRQGL-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.87
Rot. Bonds6

About 5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)pentanamide

5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)pentanamide (PubChem CID 60933767) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)pentanamide
PubChem CID60933767
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)pentanamide
SMILESO=C(CCCCCl)Nc1cccc(Cl)c1-n1cccn1
InChIInChI=1S/C14H15Cl2N3O/c15-8-2-1-7-13(20)18-12-6-3-5-11(16)14(12)19-10-4-9-17-19/h3-6,9-10H,1-2,7-8H2,(H,18,20)
InChIKeyPMROXNFXWIRQGL-UHFFFAOYSA-N
XLogP3.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
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N-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-nitrophenoxy)propanamide
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N-(3-chloro-2-pyrazol-1-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
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5-[3-chloro-2-(1,2,4-triazol-1-yl)anilino]-5-oxopentanoic acid
CID 60940339
N-(3-chloro-2-imidazol-1-ylphenyl)-5-hydroxypentanamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)pentanamide?
The IUPAC name of 5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)pentanamide (CID 60933767) is 5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)pentanamide?
The canonical SMILES for 5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)pentanamide is O=C(CCCCCl)Nc1cccc(Cl)c1-n1cccn1.
What is the InChIKey of 5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)pentanamide?
The InChIKey is PMROXNFXWIRQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c15-8-2-1-7-13(20)18-12-6-3-5-11(16)14(12)19-10-4-9-17-19/h3-6,9-10H,1-2,7-8H2,(H,18,20).
What are the key properties of 5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)pentanamide?
5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)pentanamide has a molecular weight of 312.20 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)pentanamide is sourced from PubChem (CID 60933767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).