2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine

C15H12ClN3 — CID 10945492

IUPAC2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine
SMILESCc1cccc(-c2[nH]ncc2-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H12ClN3/c1-10-3-2-4-14(18-10)15-13(9-17-19-15)11-5-7-12(16)8-6-11/h2-9H,1H3,(H,17,19)
InChIKeyHTVAFUKFRNIMHR-UHFFFAOYSA-N
MW269.74 g/mol
LogP4.10
Rot. Bonds2

About 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine

2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine (PubChem CID 10945492) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine
PubChem CID10945492
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine
SMILESCc1cccc(-c2[nH]ncc2-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H12ClN3/c1-10-3-2-4-14(18-10)15-13(9-17-19-15)11-5-7-12(16)8-6-11/h2-9H,1H3,(H,17,19)
InChIKeyHTVAFUKFRNIMHR-UHFFFAOYSA-N
XLogP4.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine?
The IUPAC name of 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine (CID 10945492) is 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine?
The canonical SMILES for 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine is Cc1cccc(-c2[nH]ncc2-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine?
The InChIKey is HTVAFUKFRNIMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c1-10-3-2-4-14(18-10)15-13(9-17-19-15)11-5-7-12(16)8-6-11/h2-9H,1H3,(H,17,19).
What are the key properties of 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine?
2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine has a molecular weight of 269.74 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-methylpyridine is sourced from PubChem (CID 10945492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).