1-(6-chloro-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanone

C11H10ClN3O — CID 82869841

IUPAC1-(6-chloro-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanone
SMILESCn1ccc(CC(=O)c2ccc(Cl)nc2)n1
InChIInChI=1S/C11H10ClN3O/c1-15-5-4-9(14-15)6-10(16)8-2-3-11(12)13-7-8/h2-5,7H,6H2,1H3
InChIKeyZPNLQOIKEBAPNW-UHFFFAOYSA-N
MW235.67 g/mol
LogP1.89
Rot. Bonds3

About 1-(6-chloro-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanone

1-(6-chloro-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanone (PubChem CID 82869841) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanone
PubChem CID82869841
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name1-(6-chloro-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanone
SMILESCn1ccc(CC(=O)c2ccc(Cl)nc2)n1
InChIInChI=1S/C11H10ClN3O/c1-15-5-4-9(14-15)6-10(16)8-2-3-11(12)13-7-8/h2-5,7H,6H2,1H3
InChIKeyZPNLQOIKEBAPNW-UHFFFAOYSA-N
XLogP1.89
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanone
CID 105123749
1-(3,4-dimethoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82869703
1-[4-(2-aminoethyl)phenyl]-2-(1-methylpyrazol-3-yl)ethanone
CID 116577667
1-(3-bromo-4-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 115793305
1-(4-chloro-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82868497
2-[2-(6-chloro-3-pyridinyl)-2-oxoethyl]benzonitrile
CID 24723333
1-(2-amino-4-chlorophenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82868499
1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82869123
N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167546212
3-(6-chloro-3-pyridinyl)-3-oxopropanoic acid
CID 55267358
2-amino-1-(6-chloro-3-pyridinyl)ethanone;hydrochloride
CID 88879940
1-(6-chloro-3-pyridinyl)-4-(6-methyl-3-pyridinyl)butane-1,4-dione
CID 90363391

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanone (CID 82869841) is 1-(6-chloro-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanone is Cn1ccc(CC(=O)c2ccc(Cl)nc2)n1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanone?
The InChIKey is ZPNLQOIKEBAPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-15-5-4-9(14-15)6-10(16)8-2-3-11(12)13-7-8/h2-5,7H,6H2,1H3.
What are the key properties of 1-(6-chloro-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanone?
1-(6-chloro-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanone has a molecular weight of 235.67 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 82869841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).