4-[[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]methyl]pyridine

C15H11Cl2N3 — CID 122443007

IUPAC4-[[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]methyl]pyridine
SMILESClc1ccc(-n2cc(Cl)c(Cc3ccncc3)n2)cc1
InChIInChI=1S/C15H11Cl2N3/c16-12-1-3-13(4-2-12)20-10-14(17)15(19-20)9-11-5-7-18-8-6-11/h1-8,10H,9H2
InChIKeyBAOKTBBDSUMXAD-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.16
Rot. Bonds3

About 4-[[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]methyl]pyridine

4-[[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]methyl]pyridine (PubChem CID 122443007) has the molecular formula C15H11Cl2N3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 4-[[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]methyl]pyridine
PubChem CID122443007
Molecular FormulaC15H11Cl2N3
Molecular Weight304.18 g/mol
Exact Mass303.03
IUPAC Name4-[[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]methyl]pyridine
SMILESClc1ccc(-n2cc(Cl)c(Cc3ccncc3)n2)cc1
InChIInChI=1S/C15H11Cl2N3/c16-12-1-3-13(4-2-12)20-10-14(17)15(19-20)9-11-5-7-18-8-6-11/h1-8,10H,9H2
InChIKeyBAOKTBBDSUMXAD-UHFFFAOYSA-N
XLogP4.16
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]methyl]pyridine?
The IUPAC name of 4-[[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]methyl]pyridine (CID 122443007) is 4-[[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]methyl]pyridine.
What is the SMILES notation for 4-[[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]methyl]pyridine?
The canonical SMILES for 4-[[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]methyl]pyridine is Clc1ccc(-n2cc(Cl)c(Cc3ccncc3)n2)cc1.
What is the InChIKey of 4-[[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]methyl]pyridine?
The InChIKey is BAOKTBBDSUMXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3/c16-12-1-3-13(4-2-12)20-10-14(17)15(19-20)9-11-5-7-18-8-6-11/h1-8,10H,9H2.
What are the key properties of 4-[[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]methyl]pyridine?
4-[[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]methyl]pyridine has a molecular weight of 304.18 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-1-(4-chlorophenyl)pyrazol-3-yl]methyl]pyridine is sourced from PubChem (CID 122443007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).