4-[6-[[4-chloro-1-[4-(difluoromethyl)phenyl]pyrazol-5-yl]methoxy]pyridazin-3-yl]piperazin-2-one

C19H17ClF2N6O2 — CID 169086524

IUPAC4-[6-[[4-chloro-1-[4-(difluoromethyl)phenyl]pyrazol-5-yl]methoxy]pyridazin-3-yl]piperazin-2-one
SMILESO=C1CN(c2ccc(OCc3c(Cl)cnn3-c3ccc(C(F)F)cc3)nn2)CCN1
InChIInChI=1S/C19H17ClF2N6O2/c20-14-9-24-28(13-3-1-12(2-4-13)19(21)22)15(14)11-30-18-6-5-16(25-26-18)27-8-7-23-17(29)10-27/h1-6,9,19H,7-8,10-11H2,(H,23,29)
InChIKeyHSMSDNJADYPOGL-UHFFFAOYSA-N
MW434.83 g/mol
LogP2.77
Rot. Bonds6

About 4-[6-[[4-chloro-1-[4-(difluoromethyl)phenyl]pyrazol-5-yl]methoxy]pyridazin-3-yl]piperazin-2-one

4-[6-[[4-chloro-1-[4-(difluoromethyl)phenyl]pyrazol-5-yl]methoxy]pyridazin-3-yl]piperazin-2-one (PubChem CID 169086524) has the molecular formula C19H17ClF2N6O2 and a molecular weight of 434.83 g/mol. Its IUPAC name is 4-[6-[[4-chloro-1-[4-(difluoromethyl)phenyl]pyrazol-5-yl]methoxy]pyridazin-3-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[6-[[4-chloro-1-[4-(difluoromethyl)phenyl]pyrazol-5-yl]methoxy]pyridazin-3-yl]piperazin-2-one
PubChem CID169086524
Molecular FormulaC19H17ClF2N6O2
Molecular Weight434.83 g/mol
Exact Mass434.11
IUPAC Name4-[6-[[4-chloro-1-[4-(difluoromethyl)phenyl]pyrazol-5-yl]methoxy]pyridazin-3-yl]piperazin-2-one
SMILESO=C1CN(c2ccc(OCc3c(Cl)cnn3-c3ccc(C(F)F)cc3)nn2)CCN1
InChIInChI=1S/C19H17ClF2N6O2/c20-14-9-24-28(13-3-1-12(2-4-13)19(21)22)15(14)11-30-18-6-5-16(25-26-18)27-8-7-23-17(29)10-27/h1-6,9,19H,7-8,10-11H2,(H,23,29)
InChIKeyHSMSDNJADYPOGL-UHFFFAOYSA-N
XLogP2.77
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.83
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[[4-chloro-1-[4-(difluoromethyl)phenyl]pyrazol-5-yl]methoxy]pyridazin-3-yl]piperazin-2-one?
The IUPAC name of 4-[6-[[4-chloro-1-[4-(difluoromethyl)phenyl]pyrazol-5-yl]methoxy]pyridazin-3-yl]piperazin-2-one (CID 169086524) is 4-[6-[[4-chloro-1-[4-(difluoromethyl)phenyl]pyrazol-5-yl]methoxy]pyridazin-3-yl]piperazin-2-one.
What is the SMILES notation for 4-[6-[[4-chloro-1-[4-(difluoromethyl)phenyl]pyrazol-5-yl]methoxy]pyridazin-3-yl]piperazin-2-one?
The canonical SMILES for 4-[6-[[4-chloro-1-[4-(difluoromethyl)phenyl]pyrazol-5-yl]methoxy]pyridazin-3-yl]piperazin-2-one is O=C1CN(c2ccc(OCc3c(Cl)cnn3-c3ccc(C(F)F)cc3)nn2)CCN1.
What is the InChIKey of 4-[6-[[4-chloro-1-[4-(difluoromethyl)phenyl]pyrazol-5-yl]methoxy]pyridazin-3-yl]piperazin-2-one?
The InChIKey is HSMSDNJADYPOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N6O2/c20-14-9-24-28(13-3-1-12(2-4-13)19(21)22)15(14)11-30-18-6-5-16(25-26-18)27-8-7-23-17(29)10-27/h1-6,9,19H,7-8,10-11H2,(H,23,29).
What are the key properties of 4-[6-[[4-chloro-1-[4-(difluoromethyl)phenyl]pyrazol-5-yl]methoxy]pyridazin-3-yl]piperazin-2-one?
4-[6-[[4-chloro-1-[4-(difluoromethyl)phenyl]pyrazol-5-yl]methoxy]pyridazin-3-yl]piperazin-2-one has a molecular weight of 434.83 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[4-chloro-1-[4-(difluoromethyl)phenyl]pyrazol-5-yl]methoxy]pyridazin-3-yl]piperazin-2-one is sourced from PubChem (CID 169086524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).