3-ethyl-4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine

C17H16FN3 — CID 69314743

IUPAC3-ethyl-4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine
SMILESCCc1cnccc1-c1cc(Cc2ccc(F)cc2)[nH]n1
InChIInChI=1S/C17H16FN3/c1-2-13-11-19-8-7-16(13)17-10-15(20-21-17)9-12-3-5-14(18)6-4-12/h3-8,10-11H,2,9H2,1H3,(H,20,21)
InChIKeyUGJXRVDAMSUGMU-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.76
Rot. Bonds4

About 3-ethyl-4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine

3-ethyl-4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine (PubChem CID 69314743) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-ethyl-4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name3-ethyl-4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine
PubChem CID69314743
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name3-ethyl-4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine
SMILESCCc1cnccc1-c1cc(Cc2ccc(F)cc2)[nH]n1
InChIInChI=1S/C17H16FN3/c1-2-13-11-19-8-7-16(13)17-10-15(20-21-17)9-12-3-5-14(18)6-4-12/h3-8,10-11H,2,9H2,1H3,(H,20,21)
InChIKeyUGJXRVDAMSUGMU-UHFFFAOYSA-N
XLogP3.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 3-ethyl-4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine (CID 69314743) is 3-ethyl-4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 3-ethyl-4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 3-ethyl-4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine is CCc1cnccc1-c1cc(Cc2ccc(F)cc2)[nH]n1.
What is the InChIKey of 3-ethyl-4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine?
The InChIKey is UGJXRVDAMSUGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-2-13-11-19-8-7-16(13)17-10-15(20-21-17)9-12-3-5-14(18)6-4-12/h3-8,10-11H,2,9H2,1H3,(H,20,21).
What are the key properties of 3-ethyl-4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine?
3-ethyl-4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine has a molecular weight of 281.33 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 69314743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).