[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-piperazin-1-ylmethanone

C18H18N6O2 — CID 137464824

IUPAC[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)N1CCNCC1
InChIInChI=1S/C18H18N6O2/c25-17-9-12(13-10-20-21-11-13)1-2-14(17)15-3-4-16(23-22-15)18(26)24-7-5-19-6-8-24/h1-4,9-11,19,25H,5-8H2,(H,20,21)
InChIKeyJGFLKYAYVUCHRL-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.28
Rot. Bonds3

About [6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-piperazin-1-ylmethanone

[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-piperazin-1-ylmethanone (PubChem CID 137464824) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is [6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-piperazin-1-ylmethanone
PubChem CID137464824
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)N1CCNCC1
InChIInChI=1S/C18H18N6O2/c25-17-9-12(13-10-20-21-11-13)1-2-14(17)15-3-4-16(23-22-15)18(26)24-7-5-19-6-8-24/h1-4,9-11,19,25H,5-8H2,(H,20,21)
InChIKeyJGFLKYAYVUCHRL-UHFFFAOYSA-N
XLogP1.28
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]methanone
CID 154598931
2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;hydrochloride
CID 168830199
2-[6-[cyclopropyl-[(1S,5R)-1,5-dimethyl-3-bicyclo[3.2.1]octanyl]amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 154988105
2-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 154987934
2-[(E)-C-ethyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(1H-pyrazol-4-yl)phenol
CID 156887981
1,4-diazepan-1-yl-[6-(3-methyl-2H-indazol-5-yl)pyridazin-3-yl]methanone
CID 167955938
2-[6-[[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 154598788
2-[6-[3-(tert-butylamino)pyrrolidin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 167504154
3-amino-1-[4-[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-one
CID 137465019
2-[6-(1,7-diazaspiro[3.5]nonan-1-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;dihydrochloride
CID 153383348
2-[3-(2,6-diazaspiro[3.3]heptan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;dihydrochloride
CID 139536597
2-[6-[(3aR)-2-(2-hydroxyethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 155082853

Frequently Asked Questions

What is the IUPAC name of [6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-piperazin-1-ylmethanone?
The IUPAC name of [6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-piperazin-1-ylmethanone (CID 137464824) is [6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-piperazin-1-ylmethanone is O=C(c1ccc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)N1CCNCC1.
What is the InChIKey of [6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-piperazin-1-ylmethanone?
The InChIKey is JGFLKYAYVUCHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c25-17-9-12(13-10-20-21-11-13)1-2-14(17)15-3-4-16(23-22-15)18(26)24-7-5-19-6-8-24/h1-4,9-11,19,25H,5-8H2,(H,20,21).
What are the key properties of [6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-piperazin-1-ylmethanone?
[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-piperazin-1-ylmethanone has a molecular weight of 350.38 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 137464824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).