1-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one

C23H18F3N5O — CID 58577337

IUPAC1-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESO=c1ccn(-c2ccc(N3CCC(F)(F)C3)cc2F)nc1-c1ccnn1-c1ccccc1
InChIInChI=1S/C23H18F3N5O/c24-18-14-17(29-13-10-23(25,26)15-29)6-7-19(18)30-12-9-21(32)22(28-30)20-8-11-27-31(20)16-4-2-1-3-5-16/h1-9,11-12,14H,10,13,15H2
InChIKeyARUCXDDGKVKYQM-UHFFFAOYSA-N
MW437.43 g/mol
LogP4.07
Rot. Bonds4

About 1-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one

1-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (PubChem CID 58577337) has the molecular formula C23H18F3N5O and a molecular weight of 437.43 g/mol. Its IUPAC name is 1-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.

Molecular Properties

Compound Name1-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
PubChem CID58577337
Molecular FormulaC23H18F3N5O
Molecular Weight437.43 g/mol
Exact Mass437.15
IUPAC Name1-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESO=c1ccn(-c2ccc(N3CCC(F)(F)C3)cc2F)nc1-c1ccnn1-c1ccccc1
InChIInChI=1S/C23H18F3N5O/c24-18-14-17(29-13-10-23(25,26)15-29)6-7-19(18)30-12-9-21(32)22(28-30)20-8-11-27-31(20)16-4-2-1-3-5-16/h1-9,11-12,14H,10,13,15H2
InChIKeyARUCXDDGKVKYQM-UHFFFAOYSA-N
XLogP4.07
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The IUPAC name of 1-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (CID 58577337) is 1-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.
What is the SMILES notation for 1-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The canonical SMILES for 1-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is O=c1ccn(-c2ccc(N3CCC(F)(F)C3)cc2F)nc1-c1ccnn1-c1ccccc1.
What is the InChIKey of 1-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The InChIKey is ARUCXDDGKVKYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O/c24-18-14-17(29-13-10-23(25,26)15-29)6-7-19(18)30-12-9-21(32)22(28-30)20-8-11-27-31(20)16-4-2-1-3-5-16/h1-9,11-12,14H,10,13,15H2.
What are the key properties of 1-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
1-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one has a molecular weight of 437.43 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,3-difluoropyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is sourced from PubChem (CID 58577337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).