4-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2,5-dimethyl-1H-pyrazol-3-one

C11H16N4O2 — CID 170298843

IUPAC4-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2,5-dimethyl-1H-pyrazol-3-one
SMILESCc1[nH]n(C)c(=O)c1Cc1c(C)[nH]n(C)c1=O
InChIInChI=1S/C11H16N4O2/c1-6-8(10(16)14(3)12-6)5-9-7(2)13-15(4)11(9)17/h12-13H,5H2,1-4H3
InChIKeyPZYNKBLHYYNPHX-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.05
Rot. Bonds2

About 4-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2,5-dimethyl-1H-pyrazol-3-one

4-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2,5-dimethyl-1H-pyrazol-3-one (PubChem CID 170298843) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2,5-dimethyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2,5-dimethyl-1H-pyrazol-3-one
PubChem CID170298843
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2,5-dimethyl-1H-pyrazol-3-one
SMILESCc1[nH]n(C)c(=O)c1Cc1c(C)[nH]n(C)c1=O
InChIInChI=1S/C11H16N4O2/c1-6-8(10(16)14(3)12-6)5-9-7(2)13-15(4)11(9)17/h12-13H,5H2,1-4H3
InChIKeyPZYNKBLHYYNPHX-UHFFFAOYSA-N
XLogP-0.05
TPSA75.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2,5-dimethyl-1H-pyrazol-3-one with MolForge

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Related Compounds

2,3-dimethyl-4-propyl-1H-pyrazol-5-one
CID 139597195
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
2,6-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H-pyrazolo[3,4-f]indazole-3,7-dione
CID 12472193
2-hexyl-4-[(2-hexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-one
CID 15358350
1,3-dimethyl-4-(2-methylpropyl)-1H-pyrazol-5-ol
CID 58125213
2,5-dimethyl-4-propanoyl-1H-pyrazol-3-one
CID 59961900
2,5-dimethyl-4-(2-oxopropyl)-1H-pyrazol-3-one
CID 59961911
2-ethyl-5-methyl-4-propyl-1H-pyrazol-3-one
CID 70463998
2,5-Dimethyl-4-propyl-1H-pyrazol-3(2H)-one
CID 76850964
4-cyclopropyl-1,3-dimethyl-1H-pyrazol-5-ol
CID 91249257
2-ethyl-4-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-one
CID 154665018

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2,5-dimethyl-1H-pyrazol-3-one?
The IUPAC name of 4-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2,5-dimethyl-1H-pyrazol-3-one (CID 170298843) is 4-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2,5-dimethyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2,5-dimethyl-1H-pyrazol-3-one?
The canonical SMILES for 4-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2,5-dimethyl-1H-pyrazol-3-one is Cc1[nH]n(C)c(=O)c1Cc1c(C)[nH]n(C)c1=O.
What is the InChIKey of 4-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2,5-dimethyl-1H-pyrazol-3-one?
The InChIKey is PZYNKBLHYYNPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-6-8(10(16)14(3)12-6)5-9-7(2)13-15(4)11(9)17/h12-13H,5H2,1-4H3.
What are the key properties of 4-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2,5-dimethyl-1H-pyrazol-3-one?
4-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2,5-dimethyl-1H-pyrazol-3-one has a molecular weight of 236.27 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)methyl]-2,5-dimethyl-1H-pyrazol-3-one is sourced from PubChem (CID 170298843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).