4-[3-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine

C16H14FN3O — CID 11492914

IUPAC4-[3-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
SMILESCOc1ccc(-c2n[nH]c(C)c2-c2ccncc2)cc1F
InChIInChI=1S/C16H14FN3O/c1-10-15(11-5-7-18-8-6-11)16(20-19-10)12-3-4-14(21-2)13(17)9-12/h3-9H,1-2H3,(H,19,20)
InChIKeyKYVLDCSNNOPFIM-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.59
Rot. Bonds3

About 4-[3-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine

4-[3-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine (PubChem CID 11492914) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-[3-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
PubChem CID11492914
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name4-[3-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
SMILESCOc1ccc(-c2n[nH]c(C)c2-c2ccncc2)cc1F
InChIInChI=1S/C16H14FN3O/c1-10-15(11-5-7-18-8-6-11)16(20-19-10)12-3-4-14(21-2)13(17)9-12/h3-9H,1-2H3,(H,19,20)
InChIKeyKYVLDCSNNOPFIM-UHFFFAOYSA-N
XLogP3.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine (CID 11492914) is 4-[3-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[3-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine is COc1ccc(-c2n[nH]c(C)c2-c2ccncc2)cc1F.
What is the InChIKey of 4-[3-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine?
The InChIKey is KYVLDCSNNOPFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-10-15(11-5-7-18-8-6-11)16(20-19-10)12-3-4-14(21-2)13(17)9-12/h3-9H,1-2H3,(H,19,20).
What are the key properties of 4-[3-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine?
4-[3-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine has a molecular weight of 283.31 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 11492914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).