6-pyrazol-1-yl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one

C18H18F3N7O — CID 126854389

IUPAC6-pyrazol-1-yl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(-n2cccn2)nn1CC1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C18H18F3N7O/c19-18(20,21)14-10-16(23-12-22-14)26-8-4-13(5-9-26)11-28-17(29)3-2-15(25-28)27-7-1-6-24-27/h1-3,6-7,10,12-13H,4-5,8-9,11H2
InChIKeyQAWZUDMBAXQQJJ-UHFFFAOYSA-N
MW405.38 g/mol
LogP2.15
Rot. Bonds4

About 6-pyrazol-1-yl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one

6-pyrazol-1-yl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126854389) has the molecular formula C18H18F3N7O and a molecular weight of 405.38 g/mol. Its IUPAC name is 6-pyrazol-1-yl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-pyrazol-1-yl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126854389
Molecular FormulaC18H18F3N7O
Molecular Weight405.38 g/mol
Exact Mass405.15
IUPAC Name6-pyrazol-1-yl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(-n2cccn2)nn1CC1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C18H18F3N7O/c19-18(20,21)14-10-16(23-12-22-14)26-8-4-13(5-9-26)11-28-17(29)3-2-15(25-28)27-7-1-6-24-27/h1-3,6-7,10,12-13H,4-5,8-9,11H2
InChIKeyQAWZUDMBAXQQJJ-UHFFFAOYSA-N
XLogP2.15
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}-2-(1H-pyrazol-1-yl)propanamide
CID 91631450
2-(1H-pyrazol-1-yl)-1-(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)ethanone
CID 91631511
(1-Methylpyrazol-4-yl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone
CID 95824598
2-{[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl}-6-(1H-1,2,4-triazol-1-yl)-2,3-dihydropyridazin-3-one
CID 126863339
6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-({1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl}methyl)-2,3-dihydropyridazin-3-one
CID 126930028
6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-({1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl}methyl)-2,3-dihydropyridazin-3-one
CID 126930084
6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-{[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126930239
6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(2-oxo-2-(4-(pyrimidin-2-yl)piperazin-1-yl)ethyl)pyridazin-3(2H)-one
CID 56724621
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 87054148
1-(4-(6-(3-methyl-1H-pyrazol-1-yl)pyrimidin-4-yl)piperazin-1-yl)butan-1-one
CID 70702906
1-(4-(6-(3-methyl-1H-pyrazol-1-yl)pyrimidin-4-yl)piperazin-1-yl)propan-1-one
CID 70703170
2-ethyl-1-(4-(6-(3-methyl-1H-pyrazol-1-yl)pyrimidin-4-yl)piperazin-1-yl)butan-1-one
CID 70703789

Frequently Asked Questions

What is the IUPAC name of 6-pyrazol-1-yl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-pyrazol-1-yl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one (CID 126854389) is 6-pyrazol-1-yl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-pyrazol-1-yl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-pyrazol-1-yl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one is O=c1ccc(-n2cccn2)nn1CC1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 6-pyrazol-1-yl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is QAWZUDMBAXQQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N7O/c19-18(20,21)14-10-16(23-12-22-14)26-8-4-13(5-9-26)11-28-17(29)3-2-15(25-28)27-7-1-6-24-27/h1-3,6-7,10,12-13H,4-5,8-9,11H2.
What are the key properties of 6-pyrazol-1-yl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one?
6-pyrazol-1-yl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 405.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrazol-1-yl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126854389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).