ethane;3-[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridazin-3-yl]pyrrolidin-3-ol

C22H30FN5O — CID 168965440

IUPACethane;3-[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridazin-3-yl]pyrrolidin-3-ol
SMILESCC.CC.Cn1ccc(-c2cc(-c3ccc(F)cc3)nnc2C2(O)CCNC2)n1
InChIInChI=1S/C18H18FN5O.2C2H6/c1-24-9-6-15(23-24)14-10-16(12-2-4-13(19)5-3-12)21-22-17(14)18(25)7-8-20-11-18;2*1-2/h2-6,9-10,20,25H,7-8,11H2,1H3;2*1-2H3
InChIKeyFMORGPHOGHRGQZ-UHFFFAOYSA-N
MW399.51 g/mol
LogP3.92
Rot. Bonds3

About ethane;3-[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridazin-3-yl]pyrrolidin-3-ol

ethane;3-[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridazin-3-yl]pyrrolidin-3-ol (PubChem CID 168965440) has the molecular formula C22H30FN5O and a molecular weight of 399.51 g/mol. Its IUPAC name is ethane;3-[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridazin-3-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Nameethane;3-[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridazin-3-yl]pyrrolidin-3-ol
PubChem CID168965440
Molecular FormulaC22H30FN5O
Molecular Weight399.51 g/mol
Exact Mass399.24
IUPAC Nameethane;3-[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridazin-3-yl]pyrrolidin-3-ol
SMILESCC.CC.Cn1ccc(-c2cc(-c3ccc(F)cc3)nnc2C2(O)CCNC2)n1
InChIInChI=1S/C18H18FN5O.2C2H6/c1-24-9-6-15(23-24)14-10-16(12-2-4-13(19)5-3-12)21-22-17(14)18(25)7-8-20-11-18;2*1-2/h2-6,9-10,20,25H,7-8,11H2,1H3;2*1-2H3
InChIKeyFMORGPHOGHRGQZ-UHFFFAOYSA-N
XLogP3.92
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridazin-3-yl]pyrrolidin-3-ol?
The IUPAC name of ethane;3-[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridazin-3-yl]pyrrolidin-3-ol (CID 168965440) is ethane;3-[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridazin-3-yl]pyrrolidin-3-ol.
What is the SMILES notation for ethane;3-[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridazin-3-yl]pyrrolidin-3-ol?
The canonical SMILES for ethane;3-[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridazin-3-yl]pyrrolidin-3-ol is CC.CC.Cn1ccc(-c2cc(-c3ccc(F)cc3)nnc2C2(O)CCNC2)n1.
What is the InChIKey of ethane;3-[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridazin-3-yl]pyrrolidin-3-ol?
The InChIKey is FMORGPHOGHRGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O.2C2H6/c1-24-9-6-15(23-24)14-10-16(12-2-4-13(19)5-3-12)21-22-17(14)18(25)7-8-20-11-18;2*1-2/h2-6,9-10,20,25H,7-8,11H2,1H3;2*1-2H3.
What are the key properties of ethane;3-[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridazin-3-yl]pyrrolidin-3-ol?
ethane;3-[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridazin-3-yl]pyrrolidin-3-ol has a molecular weight of 399.51 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[6-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridazin-3-yl]pyrrolidin-3-ol is sourced from PubChem (CID 168965440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).