2-[2-(difluoromethoxy)phenyl]-4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazine

C21H18F2N4O2 — CID 151947175

IUPAC2-[2-(difluoromethoxy)phenyl]-4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazine
SMILESCOC1=CN(c2ccccc2OC(F)F)NC(c2ccnn2-c2ccccc2)=C1
InChIInChI=1S/C21H18F2N4O2/c1-28-16-13-17(18-11-12-24-27(18)15-7-3-2-4-8-15)25-26(14-16)19-9-5-6-10-20(19)29-21(22)23/h2-14,21,25H,1H3
InChIKeyTVWVPCYUKYBJGC-UHFFFAOYSA-N
MW396.40 g/mol
LogP4.33
Rot. Bonds6

About 2-[2-(difluoromethoxy)phenyl]-4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazine

2-[2-(difluoromethoxy)phenyl]-4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazine (PubChem CID 151947175) has the molecular formula C21H18F2N4O2 and a molecular weight of 396.40 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazine.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazine
PubChem CID151947175
Molecular FormulaC21H18F2N4O2
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC Name2-[2-(difluoromethoxy)phenyl]-4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazine
SMILESCOC1=CN(c2ccccc2OC(F)F)NC(c2ccnn2-c2ccccc2)=C1
InChIInChI=1S/C21H18F2N4O2/c1-28-16-13-17(18-11-12-24-27(18)15-7-3-2-4-8-15)25-26(14-16)19-9-5-6-10-20(19)29-21(22)23/h2-14,21,25H,1H3
InChIKeyTVWVPCYUKYBJGC-UHFFFAOYSA-N
XLogP4.33
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazine
CID 141275860
4-[2,5-difluoro-4-[4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazin-2-yl]phenyl]morpholine
CID 141275883
1-[2-[2-(difluoromethoxy)phenyl]-4-methoxy-1H-pyridazin-6-yl]-3-(dimethylamino)prop-2-en-1-one
CID 141275897
1-[2-(difluoromethoxy)-4-(3,3,4,4-tetrafluoropyrrolidin-1-yl)phenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
CID 88556016
2-[3-(difluoromethoxy)phenyl]-6-[2-(3-methylsulfonylphenyl)pyrazol-3-yl]-1H-pyridazine
CID 141265201
1-[2-(difluoromethoxy)-4-ethylphenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
CID 129234805
1-(2-fluorophenyl)-5-(2-methoxyphenyl)pyrazole
CID 15956824
1-[2-(difluoromethoxy)phenyl]-5-methylpyrazole-3-carboxylic acid
CID 105421474
5-(3-methoxyphenyl)-1-phenylpyrazole
CID 44632701
5-(methoxymethyl)-1-phenylpyrazole
CID 13434116
3-(difluoromethoxy)-4-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide
CID 75468505
5-chloro-4-methoxy-1-phenylpyrazole
CID 117232898

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazine?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazine (CID 151947175) is 2-[2-(difluoromethoxy)phenyl]-4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazine.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazine?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazine is COC1=CN(c2ccccc2OC(F)F)NC(c2ccnn2-c2ccccc2)=C1.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazine?
The InChIKey is TVWVPCYUKYBJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O2/c1-28-16-13-17(18-11-12-24-27(18)15-7-3-2-4-8-15)25-26(14-16)19-9-5-6-10-20(19)29-21(22)23/h2-14,21,25H,1H3.
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazine?
2-[2-(difluoromethoxy)phenyl]-4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazine has a molecular weight of 396.40 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-4-methoxy-6-(2-phenylpyrazol-3-yl)-1H-pyridazine is sourced from PubChem (CID 151947175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).