4-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-2,5-dimethyl-1H-pyrazol-3-one

C11H14N4O3 — CID 174458814

IUPAC4-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-2,5-dimethyl-1H-pyrazol-3-one
SMILESCc1[nH]n(C)c(=O)c1C(=O)c1c(C)[nH]n(C)c1=O
InChIInChI=1S/C11H14N4O3/c1-5-7(10(17)14(3)12-5)9(16)8-6(2)13-15(4)11(8)18/h12-13H,1-4H3
InChIKeyHNDAMKONMZLQIV-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.41
Rot. Bonds2

About 4-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-2,5-dimethyl-1H-pyrazol-3-one

4-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-2,5-dimethyl-1H-pyrazol-3-one (PubChem CID 174458814) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-2,5-dimethyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-2,5-dimethyl-1H-pyrazol-3-one
PubChem CID174458814
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name4-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-2,5-dimethyl-1H-pyrazol-3-one
SMILESCc1[nH]n(C)c(=O)c1C(=O)c1c(C)[nH]n(C)c1=O
InChIInChI=1S/C11H14N4O3/c1-5-7(10(17)14(3)12-5)9(16)8-6(2)13-15(4)11(8)18/h12-13H,1-4H3
InChIKeyHNDAMKONMZLQIV-UHFFFAOYSA-N
XLogP-0.41
TPSA92.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(Z)-4-(1-Hydroxyethylidene)-1,3-dimethyl-1H-pyrazol-5(4H)-one
CID 10725566
2-methyl-4-[[2-methyl-3-oxo-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 177210826
5-Methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one
CID 4912909
2-hexyl-4-[(2-hexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-one
CID 15358350
4-(2,3-dimethylbenzene-4-ide-1-carbonyl)-2,5-dimethyl-1H-pyrazol-3-one;yttrium
CID 58060998
2,5-dimethyl-4-propanoyl-1H-pyrazol-3-one
CID 59961900
2,5-dimethyl-4-(2-oxopropyl)-1H-pyrazol-3-one
CID 59961911
5-Methyl-4-(3-methyl-5-oxo-1,2-dihydropyrazole-4-carbonyl)-1,2-dihydropyrazol-3-one
CID 68139047
2,5-Dimethyl-4-propyl-1H-pyrazol-3(2H)-one
CID 76850964
1,4-bis(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)butane-1,4-dione
CID 90363398
1-[5-Hydroxy-1-methyl-3-(propan-2-yl)-1H-pyrazol-4-yl]ethan-1-one
CID 118538286
1-(3-Cyclopropyl-5-hydroxy-1-methyl-1H-pyrazol-4-yl)ethan-1-one
CID 118538411

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-2,5-dimethyl-1H-pyrazol-3-one?
The IUPAC name of 4-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-2,5-dimethyl-1H-pyrazol-3-one (CID 174458814) is 4-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-2,5-dimethyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-2,5-dimethyl-1H-pyrazol-3-one?
The canonical SMILES for 4-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-2,5-dimethyl-1H-pyrazol-3-one is Cc1[nH]n(C)c(=O)c1C(=O)c1c(C)[nH]n(C)c1=O.
What is the InChIKey of 4-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-2,5-dimethyl-1H-pyrazol-3-one?
The InChIKey is HNDAMKONMZLQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-5-7(10(17)14(3)12-5)9(16)8-6(2)13-15(4)11(8)18/h12-13H,1-4H3.
What are the key properties of 4-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-2,5-dimethyl-1H-pyrazol-3-one?
4-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-2,5-dimethyl-1H-pyrazol-3-one has a molecular weight of 250.26 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-3-oxo-1H-pyrazole-4-carbonyl)-2,5-dimethyl-1H-pyrazol-3-one is sourced from PubChem (CID 174458814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).