4-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-2-methylpyridine

C16H14ClN3 — CID 22037207

IUPAC4-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-2-methylpyridine
SMILESCc1cc(-c2cn(C)nc2-c2cccc(Cl)c2)ccn1
InChIInChI=1S/C16H14ClN3/c1-11-8-12(6-7-18-11)15-10-20(2)19-16(15)13-4-3-5-14(17)9-13/h3-10H,1-2H3
InChIKeyMLUJDKAZWUCFQK-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.11
Rot. Bonds2

About 4-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-2-methylpyridine

4-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-2-methylpyridine (PubChem CID 22037207) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-2-methylpyridine.

Molecular Properties

Compound Name4-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-2-methylpyridine
PubChem CID22037207
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name4-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-2-methylpyridine
SMILESCc1cc(-c2cn(C)nc2-c2cccc(Cl)c2)ccn1
InChIInChI=1S/C16H14ClN3/c1-11-8-12(6-7-18-11)15-10-20(2)19-16(15)13-4-3-5-14(17)9-13/h3-10H,1-2H3
InChIKeyMLUJDKAZWUCFQK-UHFFFAOYSA-N
XLogP4.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-2-methylpyridine?
The IUPAC name of 4-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-2-methylpyridine (CID 22037207) is 4-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-2-methylpyridine.
What is the SMILES notation for 4-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-2-methylpyridine?
The canonical SMILES for 4-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-2-methylpyridine is Cc1cc(-c2cn(C)nc2-c2cccc(Cl)c2)ccn1.
What is the InChIKey of 4-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-2-methylpyridine?
The InChIKey is MLUJDKAZWUCFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-11-8-12(6-7-18-11)15-10-20(2)19-16(15)13-4-3-5-14(17)9-13/h3-10H,1-2H3.
What are the key properties of 4-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-2-methylpyridine?
4-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-2-methylpyridine has a molecular weight of 283.76 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]-2-methylpyridine is sourced from PubChem (CID 22037207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).