N-[1-(6-chloro-3-pyridinyl)pyrazol-3-yl]-2-(4-fluorophenyl)acetamide

C16H12ClFN4O — CID 135315811

IUPACN-[1-(6-chloro-3-pyridinyl)pyrazol-3-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccn(-c2ccc(Cl)nc2)n1
InChIInChI=1S/C16H12ClFN4O/c17-14-6-5-13(10-19-14)22-8-7-15(21-22)20-16(23)9-11-1-3-12(18)4-2-11/h1-8,10H,9H2,(H,20,21,23)
InChIKeyRFQHUYSMPAJOKI-UHFFFAOYSA-N
MW330.75 g/mol
LogP3.24
Rot. Bonds4

About N-[1-(6-chloro-3-pyridinyl)pyrazol-3-yl]-2-(4-fluorophenyl)acetamide

N-[1-(6-chloro-3-pyridinyl)pyrazol-3-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 135315811) has the molecular formula C16H12ClFN4O and a molecular weight of 330.75 g/mol. Its IUPAC name is N-[1-(6-chloro-3-pyridinyl)pyrazol-3-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(6-chloro-3-pyridinyl)pyrazol-3-yl]-2-(4-fluorophenyl)acetamide
PubChem CID135315811
Molecular FormulaC16H12ClFN4O
Molecular Weight330.75 g/mol
Exact Mass330.07
IUPAC NameN-[1-(6-chloro-3-pyridinyl)pyrazol-3-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccn(-c2ccc(Cl)nc2)n1
InChIInChI=1S/C16H12ClFN4O/c17-14-6-5-13(10-19-14)22-8-7-15(21-22)20-16(23)9-11-1-3-12(18)4-2-11/h1-8,10H,9H2,(H,20,21,23)
InChIKeyRFQHUYSMPAJOKI-UHFFFAOYSA-N
XLogP3.24
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-3-pyridinyl)pyrazol-3-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[1-(6-chloro-3-pyridinyl)pyrazol-3-yl]-2-(4-fluorophenyl)acetamide (CID 135315811) is N-[1-(6-chloro-3-pyridinyl)pyrazol-3-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[1-(6-chloro-3-pyridinyl)pyrazol-3-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[1-(6-chloro-3-pyridinyl)pyrazol-3-yl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1ccn(-c2ccc(Cl)nc2)n1.
What is the InChIKey of N-[1-(6-chloro-3-pyridinyl)pyrazol-3-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is RFQHUYSMPAJOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O/c17-14-6-5-13(10-19-14)22-8-7-15(21-22)20-16(23)9-11-1-3-12(18)4-2-11/h1-8,10H,9H2,(H,20,21,23).
What are the key properties of N-[1-(6-chloro-3-pyridinyl)pyrazol-3-yl]-2-(4-fluorophenyl)acetamide?
N-[1-(6-chloro-3-pyridinyl)pyrazol-3-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 330.75 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-3-pyridinyl)pyrazol-3-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 135315811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).