(4S)-2-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-5-methyl-4H-pyrazol-3-one

C12H16N4O — CID 7640069

IUPAC(4S)-2-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-5-methyl-4H-pyrazol-3-one
SMILESCC[C@@H]1C(=O)N(c2nc(C)cc(C)n2)N=C1C
InChIInChI=1S/C12H16N4O/c1-5-10-9(4)15-16(11(10)17)12-13-7(2)6-8(3)14-12/h6,10H,5H2,1-4H3/t10-/m0/s1
InChIKeyUIHHDMDYUYLVLQ-JTQLQIEISA-N
MW232.29 g/mol
LogP1.84
Rot. Bonds2

About (4S)-2-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-5-methyl-4H-pyrazol-3-one

(4S)-2-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-5-methyl-4H-pyrazol-3-one (PubChem CID 7640069) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is (4S)-2-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-5-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name(4S)-2-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-5-methyl-4H-pyrazol-3-one
PubChem CID7640069
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name(4S)-2-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-5-methyl-4H-pyrazol-3-one
SMILESCC[C@@H]1C(=O)N(c2nc(C)cc(C)n2)N=C1C
InChIInChI=1S/C12H16N4O/c1-5-10-9(4)15-16(11(10)17)12-13-7(2)6-8(3)14-12/h6,10H,5H2,1-4H3/t10-/m0/s1
InChIKeyUIHHDMDYUYLVLQ-JTQLQIEISA-N
XLogP1.84
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Tert-butyl)-1-(4,6-dimethylpyrimidin-2-yl)-2-pyrazolin-5-one
CID 2984810
2-(4,6-dimethylpyrimidin-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
CID 4890845
2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-(3-methylbutyl)-2,4-dihydro-3H-pyrazol-3-one
CID 4886601
2-(4,6-Dimethylpyrimidin-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
CID 12771908
2-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 4887072
N-(4,6-dimethyl-2-pyrimidinyl)-2-methylpropanamide
CID 1234520
N'-(4,6-dimethylpyrimidin-2-yl)acetohydrazide
CID 685250
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
CID 16442200
N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide
CID 787336
1,5-Dimethyl-2-(4,6-dimethylpyrimidin-2-yl)-1,2-dihydro-3h-pyrazol-3-one
CID 12771912
5-(difluoromethyl)-2-(4,6-dimethylpyrimidin-2-yl)-4H-pyrazol-3-one
CID 62880528
2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one
CID 63742908

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-5-methyl-4H-pyrazol-3-one?
The IUPAC name of (4S)-2-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-5-methyl-4H-pyrazol-3-one (CID 7640069) is (4S)-2-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-5-methyl-4H-pyrazol-3-one.
What is the SMILES notation for (4S)-2-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-5-methyl-4H-pyrazol-3-one?
The canonical SMILES for (4S)-2-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-5-methyl-4H-pyrazol-3-one is CC[C@@H]1C(=O)N(c2nc(C)cc(C)n2)N=C1C.
What is the InChIKey of (4S)-2-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-5-methyl-4H-pyrazol-3-one?
The InChIKey is UIHHDMDYUYLVLQ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N4O/c1-5-10-9(4)15-16(11(10)17)12-13-7(2)6-8(3)14-12/h6,10H,5H2,1-4H3/t10-/m0/s1.
What are the key properties of (4S)-2-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-5-methyl-4H-pyrazol-3-one?
(4S)-2-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-5-methyl-4H-pyrazol-3-one has a molecular weight of 232.29 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-5-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 7640069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).