2-(2,6-dimethylpyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one

C13H14N6O — CID 106715009

IUPAC2-(2,6-dimethylpyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
SMILESCc1cc(N2N=C(c3cnn(C)c3)CC2=O)nc(C)n1
InChIInChI=1S/C13H14N6O/c1-8-4-12(16-9(2)15-8)19-13(20)5-11(17-19)10-6-14-18(3)7-10/h4,6-7H,5H2,1-3H3
InChIKeyJXVJFQKYAYHZPU-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.97
Rot. Bonds2

About 2-(2,6-dimethylpyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one

2-(2,6-dimethylpyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one (PubChem CID 106715009) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-(2,6-dimethylpyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2,6-dimethylpyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
PubChem CID106715009
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name2-(2,6-dimethylpyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
SMILESCc1cc(N2N=C(c3cnn(C)c3)CC2=O)nc(C)n1
InChIInChI=1S/C13H14N6O/c1-8-4-12(16-9(2)15-8)19-13(20)5-11(17-19)10-6-14-18(3)7-10/h4,6-7H,5H2,1-3H3
InChIKeyJXVJFQKYAYHZPU-UHFFFAOYSA-N
XLogP0.97
TPSA76.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-methylpyrazol-4-yl)-2-(4-methyl-2-pyridinyl)-4H-pyrazol-3-one
CID 106714976
2-(2-bromophenyl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106714963
2-(2-amino-4-chlorophenyl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106715493
2,4-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine
CID 163354789
2-[(3-methylphenyl)methyl]-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106714990
2-(3-methylbutyl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106714974
2-cycloheptyl-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106714970
2-cyclohexyl-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106714969
2,4-dimethyl-6-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine
CID 95828152
2-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106714991
2-[(3-bromophenyl)methyl]-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106714997
2-[(3-chlorophenyl)methyl]-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one
CID 106714994

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one?
The IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one (CID 106715009) is 2-(2,6-dimethylpyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one.
What is the SMILES notation for 2-(2,6-dimethylpyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one?
The canonical SMILES for 2-(2,6-dimethylpyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one is Cc1cc(N2N=C(c3cnn(C)c3)CC2=O)nc(C)n1.
What is the InChIKey of 2-(2,6-dimethylpyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one?
The InChIKey is JXVJFQKYAYHZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-8-4-12(16-9(2)15-8)19-13(20)5-11(17-19)10-6-14-18(3)7-10/h4,6-7H,5H2,1-3H3.
What are the key properties of 2-(2,6-dimethylpyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one?
2-(2,6-dimethylpyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one has a molecular weight of 270.30 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-4H-pyrazol-3-one is sourced from PubChem (CID 106715009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).