[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl-methylazanium

C17H18FN4+ — CID 78225409

IUPAC[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl-methylazanium
SMILESC[NH2+]Cc1cc(-c2cn(C)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C17H17FN4/c1-19-10-15-9-13(7-8-20-15)16-11-22(2)21-17(16)12-3-5-14(18)6-4-12/h3-9,11,19H,10H2,1-2H3/p+1
InChIKeyUEPOHWWKVBWCFV-UHFFFAOYSA-O
MW297.36 g/mol
LogP1.98
Rot. Bonds4

About [4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl-methylazanium

[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl-methylazanium (PubChem CID 78225409) has the molecular formula C17H18FN4+ and a molecular weight of 297.36 g/mol. Its IUPAC name is [4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl-methylazanium.

Molecular Properties

Compound Name[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl-methylazanium
PubChem CID78225409
Molecular FormulaC17H18FN4+
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl-methylazanium
SMILESC[NH2+]Cc1cc(-c2cn(C)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C17H17FN4/c1-19-10-15-9-13(7-8-20-15)16-11-22(2)21-17(16)12-3-5-14(18)6-4-12/h3-9,11,19H,10H2,1-2H3/p+1
InChIKeyUEPOHWWKVBWCFV-UHFFFAOYSA-O
XLogP1.98
TPSA47.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl-methylazanium?
The IUPAC name of [4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl-methylazanium (CID 78225409) is [4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl-methylazanium.
What is the SMILES notation for [4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl-methylazanium?
The canonical SMILES for [4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl-methylazanium is C[NH2+]Cc1cc(-c2cn(C)nc2-c2ccc(F)cc2)ccn1.
What is the InChIKey of [4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl-methylazanium?
The InChIKey is UEPOHWWKVBWCFV-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H17FN4/c1-19-10-15-9-13(7-8-20-15)16-11-22(2)21-17(16)12-3-5-14(18)6-4-12/h3-9,11,19H,10H2,1-2H3/p+1.
What are the key properties of [4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl-methylazanium?
[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl-methylazanium has a molecular weight of 297.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methyl-methylazanium is sourced from PubChem (CID 78225409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).