3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one

C15H20N6O2 — CID 97066448

IUPAC3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
SMILESCc1c(C(=O)N2CCN(C)C[C@H]2C)cnn1-c1ccc(=O)[nH]n1
InChIInChI=1S/C15H20N6O2/c1-10-9-19(3)6-7-20(10)15(23)12-8-16-21(11(12)2)13-4-5-14(22)18-17-13/h4-5,8,10H,6-7,9H2,1-3H3,(H,18,22)/t10-/m1/s1
InChIKeyYWGODLODEQKVLV-SNVBAGLBSA-N
MW316.37 g/mol
LogP0.04
Rot. Bonds2

About 3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one

3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one (PubChem CID 97066448) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
PubChem CID97066448
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
SMILESCc1c(C(=O)N2CCN(C)C[C@H]2C)cnn1-c1ccc(=O)[nH]n1
InChIInChI=1S/C15H20N6O2/c1-10-9-19(3)6-7-20(10)15(23)12-8-16-21(11(12)2)13-4-5-14(22)18-17-13/h4-5,8,10H,6-7,9H2,1-3H3,(H,18,22)/t10-/m1/s1
InChIKeyYWGODLODEQKVLV-SNVBAGLBSA-N
XLogP0.04
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2,4-dimethylpiperazin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 97066486
3-[5-methyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one
CID 167926365
3-[4-[(2S)-2-ethylmorpholine-4-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
CID 39570435
3-[4-(4-benzylpiperazine-1-carbonyl)-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
CID 24650028
3-[4-(1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecane-4-carbonyl)-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
CID 139012104
3-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one;hydrochloride
CID 120736309
3-[4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
CID 37314315
3-[4-[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
CID 166363209
(5-amino-1-methylpyrazol-4-yl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone
CID 114087644
N-benzhydryl-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 39677202
N-(5-fluoro-2-methylphenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 86919857
(2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877125

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one (CID 97066448) is 3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one is Cc1c(C(=O)N2CCN(C)C[C@H]2C)cnn1-c1ccc(=O)[nH]n1.
What is the InChIKey of 3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one?
The InChIKey is YWGODLODEQKVLV-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-10-9-19(3)6-7-20(10)15(23)12-8-16-21(11(12)2)13-4-5-14(22)18-17-13/h4-5,8,10H,6-7,9H2,1-3H3,(H,18,22)/t10-/m1/s1.
What are the key properties of 3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one?
3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one has a molecular weight of 316.37 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 97066448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).