2-[4-methoxy-6-[(3R)-pyrrolidin-3-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol

C18H19N5O2 — CID 166646392

IUPAC2-[4-methoxy-6-[(3R)-pyrrolidin-3-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol
SMILESCOc1cc([C@@H]2CCNC2)nnc1-c1ccc(-n2cccn2)cc1O
InChIInChI=1S/C18H19N5O2/c1-25-17-10-15(12-5-7-19-11-12)21-22-18(17)14-4-3-13(9-16(14)24)23-8-2-6-20-23/h2-4,6,8-10,12,19,24H,5,7,11H2,1H3/t12-/m1/s1
InChIKeyBIUUSOQDFZJBLJ-GFCCVEGCSA-N
MW337.38 g/mol
LogP2.12
Rot. Bonds4

About 2-[4-methoxy-6-[(3R)-pyrrolidin-3-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol

2-[4-methoxy-6-[(3R)-pyrrolidin-3-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol (PubChem CID 166646392) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[4-methoxy-6-[(3R)-pyrrolidin-3-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol.

Molecular Properties

Compound Name2-[4-methoxy-6-[(3R)-pyrrolidin-3-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol
PubChem CID166646392
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-[4-methoxy-6-[(3R)-pyrrolidin-3-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol
SMILESCOc1cc([C@@H]2CCNC2)nnc1-c1ccc(-n2cccn2)cc1O
InChIInChI=1S/C18H19N5O2/c1-25-17-10-15(12-5-7-19-11-12)21-22-18(17)14-4-3-13(9-16(14)24)23-8-2-6-20-23/h2-4,6,8-10,12,19,24H,5,7,11H2,1H3/t12-/m1/s1
InChIKeyBIUUSOQDFZJBLJ-GFCCVEGCSA-N
XLogP2.12
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-methoxy-6-[(3R)-pyrrolidin-3-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol with MolForge

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Related Compounds

2-[6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol
CID 137092427
2-(6-aminopyridazin-3-yl)-5-pyrazol-1-ylphenol
CID 136626067
4-[[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-2-methoxyphenol
CID 75504406
2-[8-[(1R,2R)-2-fluorocyclohexyl]-6H-pyrano[3,2-c]pyridazin-3-yl]-5-pyrazol-1-ylphenol
CID 170041588
5-pyrazol-1-yl-2-(6,7,8,9-tetrahydro-5H-pyridazino[3,4-b]azepin-3-yl)phenol
CID 170041837
3-(2,6-dimethylpiperidin-4-yl)oxy-6-(2-methoxy-4-pyrazol-1-ylphenyl)pyridazine
CID 140634406
2-methoxy-4-pyrazol-1-ylbenzenecarboximidamide
CID 126822232
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine
CID 10467846
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide
CID 95862314
2-[6-[[(1S,4S,5S,6R)-6-fluoro-1,4-dimethyl-2-azabicyclo[2.2.1]heptan-5-yl]oxy]pyridazin-3-yl]-5-pyrazol-1-ylphenol
CID 167369772
2-fluoro-6-methoxy-4-[1-(4-pyrazol-1-ylphenyl)triazol-4-yl]phenol
CID 155620421
tert-butyl 4-[6-(2-hydroxy-4-pyrazol-1-ylphenyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 139270457

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-6-[(3R)-pyrrolidin-3-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol?
The IUPAC name of 2-[4-methoxy-6-[(3R)-pyrrolidin-3-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol (CID 166646392) is 2-[4-methoxy-6-[(3R)-pyrrolidin-3-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol.
What is the SMILES notation for 2-[4-methoxy-6-[(3R)-pyrrolidin-3-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol?
The canonical SMILES for 2-[4-methoxy-6-[(3R)-pyrrolidin-3-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol is COc1cc([C@@H]2CCNC2)nnc1-c1ccc(-n2cccn2)cc1O.
What is the InChIKey of 2-[4-methoxy-6-[(3R)-pyrrolidin-3-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol?
The InChIKey is BIUUSOQDFZJBLJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-25-17-10-15(12-5-7-19-11-12)21-22-18(17)14-4-3-13(9-16(14)24)23-8-2-6-20-23/h2-4,6,8-10,12,19,24H,5,7,11H2,1H3/t12-/m1/s1.
What are the key properties of 2-[4-methoxy-6-[(3R)-pyrrolidin-3-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol?
2-[4-methoxy-6-[(3R)-pyrrolidin-3-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol has a molecular weight of 337.38 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-6-[(3R)-pyrrolidin-3-yl]pyridazin-3-yl]-5-pyrazol-1-ylphenol is sourced from PubChem (CID 166646392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).