3-chloro-4-[5-[(2,4-dimethylphenyl)methyl]-1H-pyrazol-3-yl]pyridine

C17H16ClN3 — CID 69309763

IUPAC3-chloro-4-[5-[(2,4-dimethylphenyl)methyl]-1H-pyrazol-3-yl]pyridine
SMILESCc1ccc(Cc2cc(-c3ccncc3Cl)n[nH]2)c(C)c1
InChIInChI=1S/C17H16ClN3/c1-11-3-4-13(12(2)7-11)8-14-9-17(21-20-14)15-5-6-19-10-16(15)18/h3-7,9-10H,8H2,1-2H3,(H,20,21)
InChIKeyDSLHJEUCXUXETI-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.33
Rot. Bonds3

About 3-chloro-4-[5-[(2,4-dimethylphenyl)methyl]-1H-pyrazol-3-yl]pyridine

3-chloro-4-[5-[(2,4-dimethylphenyl)methyl]-1H-pyrazol-3-yl]pyridine (PubChem CID 69309763) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-chloro-4-[5-[(2,4-dimethylphenyl)methyl]-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name3-chloro-4-[5-[(2,4-dimethylphenyl)methyl]-1H-pyrazol-3-yl]pyridine
PubChem CID69309763
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name3-chloro-4-[5-[(2,4-dimethylphenyl)methyl]-1H-pyrazol-3-yl]pyridine
SMILESCc1ccc(Cc2cc(-c3ccncc3Cl)n[nH]2)c(C)c1
InChIInChI=1S/C17H16ClN3/c1-11-3-4-13(12(2)7-11)8-14-9-17(21-20-14)15-5-6-19-10-16(15)18/h3-7,9-10H,8H2,1-2H3,(H,20,21)
InChIKeyDSLHJEUCXUXETI-UHFFFAOYSA-N
XLogP4.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[5-[(2,4-dimethylphenyl)methyl]-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 3-chloro-4-[5-[(2,4-dimethylphenyl)methyl]-1H-pyrazol-3-yl]pyridine (CID 69309763) is 3-chloro-4-[5-[(2,4-dimethylphenyl)methyl]-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 3-chloro-4-[5-[(2,4-dimethylphenyl)methyl]-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 3-chloro-4-[5-[(2,4-dimethylphenyl)methyl]-1H-pyrazol-3-yl]pyridine is Cc1ccc(Cc2cc(-c3ccncc3Cl)n[nH]2)c(C)c1.
What is the InChIKey of 3-chloro-4-[5-[(2,4-dimethylphenyl)methyl]-1H-pyrazol-3-yl]pyridine?
The InChIKey is DSLHJEUCXUXETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-11-3-4-13(12(2)7-11)8-14-9-17(21-20-14)15-5-6-19-10-16(15)18/h3-7,9-10H,8H2,1-2H3,(H,20,21).
What are the key properties of 3-chloro-4-[5-[(2,4-dimethylphenyl)methyl]-1H-pyrazol-3-yl]pyridine?
3-chloro-4-[5-[(2,4-dimethylphenyl)methyl]-1H-pyrazol-3-yl]pyridine has a molecular weight of 297.79 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[5-[(2,4-dimethylphenyl)methyl]-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 69309763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).