4-chloro-2-(2,4-difluorophenyl)-5-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]pyridazin-3-one

C21H16ClF2N5O — CID 133375445

IUPAC4-chloro-2-(2,4-difluorophenyl)-5-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]pyridazin-3-one
SMILESCc1ccn(-c2ccccc2CNc2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)n1
InChIInChI=1S/C21H16ClF2N5O/c1-13-8-9-28(27-13)18-5-3-2-4-14(18)11-25-17-12-26-29(21(30)20(17)22)19-7-6-15(23)10-16(19)24/h2-10,12,25H,11H2,1H3
InChIKeyVLOIZZBFAYOJFL-UHFFFAOYSA-N
MW427.84 g/mol
LogP4.27
Rot. Bonds5

About 4-chloro-2-(2,4-difluorophenyl)-5-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]pyridazin-3-one

4-chloro-2-(2,4-difluorophenyl)-5-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]pyridazin-3-one (PubChem CID 133375445) has the molecular formula C21H16ClF2N5O and a molecular weight of 427.84 g/mol. Its IUPAC name is 4-chloro-2-(2,4-difluorophenyl)-5-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2,4-difluorophenyl)-5-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]pyridazin-3-one
PubChem CID133375445
Molecular FormulaC21H16ClF2N5O
Molecular Weight427.84 g/mol
Exact Mass427.10
IUPAC Name4-chloro-2-(2,4-difluorophenyl)-5-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]pyridazin-3-one
SMILESCc1ccn(-c2ccccc2CNc2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)n1
InChIInChI=1S/C21H16ClF2N5O/c1-13-8-9-28(27-13)18-5-3-2-4-14(18)11-25-17-12-26-29(21(30)20(17)22)19-7-6-15(23)10-16(19)24/h2-10,12,25H,11H2,1H3
InChIKeyVLOIZZBFAYOJFL-UHFFFAOYSA-N
XLogP4.27
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.84
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-(2,4-difluorophenyl)-5-[(4-methylsulfonylphenyl)methylamino]pyridazin-3-one
CID 60502921
4-chloro-5-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one
CID 60502435
4-chloro-2-(2,4-difluorophenyl)-5-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]pyridazin-3-one
CID 97016984
4-chloro-5-[[3-(2,2-difluoroethoxy)phenyl]methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one
CID 133275549
4-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]amino]-4-methylpentanoic acid
CID 122059167
4-chloro-2-(2,4-difluorophenyl)-5-[[(3R)-1-phenylpyrrolidin-3-yl]methylamino]pyridazin-3-one
CID 94414792
4-chloro-2-(2,4-difluorophenyl)-5-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one
CID 133323503
N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-2-nitroaniline
CID 133375415
4-chloro-5-[(2,5-difluorophenyl)methylamino]-2-methylpyridazin-3-one
CID 115613225
(2S)-2-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]amino]-4-methylpentanoic acid
CID 122050240
N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-2-amine
CID 133375460
4-chloro-2-(4-nitrophenyl)-5-[(2-pyrazol-1-ylphenyl)methylamino]pyridazin-3-one
CID 133284407

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-5-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-5-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]pyridazin-3-one (CID 133375445) is 4-chloro-2-(2,4-difluorophenyl)-5-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2,4-difluorophenyl)-5-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2,4-difluorophenyl)-5-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]pyridazin-3-one is Cc1ccn(-c2ccccc2CNc2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)n1.
What is the InChIKey of 4-chloro-2-(2,4-difluorophenyl)-5-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]pyridazin-3-one?
The InChIKey is VLOIZZBFAYOJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF2N5O/c1-13-8-9-28(27-13)18-5-3-2-4-14(18)11-25-17-12-26-29(21(30)20(17)22)19-7-6-15(23)10-16(19)24/h2-10,12,25H,11H2,1H3.
What are the key properties of 4-chloro-2-(2,4-difluorophenyl)-5-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]pyridazin-3-one?
4-chloro-2-(2,4-difluorophenyl)-5-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]pyridazin-3-one has a molecular weight of 427.84 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-difluorophenyl)-5-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]pyridazin-3-one is sourced from PubChem (CID 133375445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).