4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methylpyridine

C15H12FN3 — CID 22037223

IUPAC4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methylpyridine
SMILESCc1cnccc1-c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C15H12FN3/c1-10-8-17-7-6-13(10)14-9-18-19-15(14)11-2-4-12(16)5-3-11/h2-9H,1H3,(H,18,19)
InChIKeyCTPVZUXBADAVJW-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.59
Rot. Bonds2

About 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methylpyridine

4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methylpyridine (PubChem CID 22037223) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methylpyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methylpyridine
PubChem CID22037223
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methylpyridine
SMILESCc1cnccc1-c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C15H12FN3/c1-10-8-17-7-6-13(10)14-9-18-19-15(14)11-2-4-12(16)5-3-11/h2-9H,1H3,(H,18,19)
InChIKeyCTPVZUXBADAVJW-UHFFFAOYSA-N
XLogP3.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methylpyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methylpyridine (CID 22037223) is 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methylpyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methylpyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methylpyridine is Cc1cnccc1-c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methylpyridine?
The InChIKey is CTPVZUXBADAVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c1-10-8-17-7-6-13(10)14-9-18-19-15(14)11-2-4-12(16)5-3-11/h2-9H,1H3,(H,18,19).
What are the key properties of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methylpyridine?
4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methylpyridine has a molecular weight of 253.28 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methylpyridine is sourced from PubChem (CID 22037223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).