3-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-1-yl]-4,5-dihydro-1H-pyridazin-6-one

C17H14FN7O — CID 10450574

IUPAC3-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-1-yl]-4,5-dihydro-1H-pyridazin-6-one
SMILESNc1nccc(-c2cn(C3=NNC(=O)CC3)nc2-c2ccc(F)cc2)n1
InChIInChI=1S/C17H14FN7O/c18-11-3-1-10(2-4-11)16-12(13-7-8-20-17(19)21-13)9-25(24-16)14-5-6-15(26)23-22-14/h1-4,7-9H,5-6H2,(H,23,26)(H2,19,20,21)
InChIKeyNHSFDVCJXLPZDA-UHFFFAOYSA-N
MW351.35 g/mol
LogP1.80
Rot. Bonds2

About 3-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-1-yl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-1-yl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 10450574) has the molecular formula C17H14FN7O and a molecular weight of 351.35 g/mol. Its IUPAC name is 3-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-1-yl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-1-yl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID10450574
Molecular FormulaC17H14FN7O
Molecular Weight351.35 g/mol
Exact Mass351.12
IUPAC Name3-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-1-yl]-4,5-dihydro-1H-pyridazin-6-one
SMILESNc1nccc(-c2cn(C3=NNC(=O)CC3)nc2-c2ccc(F)cc2)n1
InChIInChI=1S/C17H14FN7O/c18-11-3-1-10(2-4-11)16-12(13-7-8-20-17(19)21-13)9-25(24-16)14-5-6-15(26)23-22-14/h1-4,7-9H,5-6H2,(H,23,26)(H2,19,20,21)
InChIKeyNHSFDVCJXLPZDA-UHFFFAOYSA-N
XLogP1.80
TPSA111.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-1-yl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-1-yl]-4,5-dihydro-1H-pyridazin-6-one (CID 10450574) is 3-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-1-yl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-1-yl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-1-yl]-4,5-dihydro-1H-pyridazin-6-one is Nc1nccc(-c2cn(C3=NNC(=O)CC3)nc2-c2ccc(F)cc2)n1.
What is the InChIKey of 3-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-1-yl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is NHSFDVCJXLPZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN7O/c18-11-3-1-10(2-4-11)16-12(13-7-8-20-17(19)21-13)9-25(24-16)14-5-6-15(26)23-22-14/h1-4,7-9H,5-6H2,(H,23,26)(H2,19,20,21).
What are the key properties of 3-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-1-yl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-1-yl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 351.35 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)pyrazol-1-yl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 10450574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).