2-chloro-6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazol-3-yl]pyridine

C17H18ClN5O — CID 89407733

IUPAC2-chloro-6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazol-3-yl]pyridine
SMILESCn1cc(-c2cc(-c3cccc(Cl)n3)nn2C2CCCCO2)cn1
InChIInChI=1S/C17H18ClN5O/c1-22-11-12(10-19-22)15-9-14(13-5-4-6-16(18)20-13)21-23(15)17-7-2-3-8-24-17/h4-6,9-11,17H,2-3,7-8H2,1H3
InChIKeyUJLUJIZBOUVDAB-UHFFFAOYSA-N
MW343.82 g/mol
LogP3.70
Rot. Bonds3

About 2-chloro-6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazol-3-yl]pyridine

2-chloro-6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazol-3-yl]pyridine (PubChem CID 89407733) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is 2-chloro-6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-chloro-6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazol-3-yl]pyridine
PubChem CID89407733
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name2-chloro-6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazol-3-yl]pyridine
SMILESCn1cc(-c2cc(-c3cccc(Cl)n3)nn2C2CCCCO2)cn1
InChIInChI=1S/C17H18ClN5O/c1-22-11-12(10-19-22)15-9-14(13-5-4-6-16(18)20-13)21-23(15)17-7-2-3-8-24-17/h4-6,9-11,17H,2-3,7-8H2,1H3
InChIKeyUJLUJIZBOUVDAB-UHFFFAOYSA-N
XLogP3.70
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2-chloro-6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazol-3-yl]pyridine?
The IUPAC name of 2-chloro-6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazol-3-yl]pyridine (CID 89407733) is 2-chloro-6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-chloro-6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazol-3-yl]pyridine?
The canonical SMILES for 2-chloro-6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazol-3-yl]pyridine is Cn1cc(-c2cc(-c3cccc(Cl)n3)nn2C2CCCCO2)cn1.
What is the InChIKey of 2-chloro-6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazol-3-yl]pyridine?
The InChIKey is UJLUJIZBOUVDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-22-11-12(10-19-22)15-9-14(13-5-4-6-16(18)20-13)21-23(15)17-7-2-3-8-24-17/h4-6,9-11,17H,2-3,7-8H2,1H3.
What are the key properties of 2-chloro-6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazol-3-yl]pyridine?
2-chloro-6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazol-3-yl]pyridine has a molecular weight of 343.82 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[5-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazol-3-yl]pyridine is sourced from PubChem (CID 89407733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).