2-cyclohexyl-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one

C14H20N4O — CID 11853010

IUPAC2-cyclohexyl-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one
SMILESCC1=NN(C2CCCCC2)C(=O)C1c1cc(C)[nH]n1
InChIInChI=1S/C14H20N4O/c1-9-8-12(16-15-9)13-10(2)17-18(14(13)19)11-6-4-3-5-7-11/h8,11,13H,3-7H2,1-2H3,(H,15,16)
InChIKeyZUNQCADWMWMZJP-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.35
Rot. Bonds2

About 2-cyclohexyl-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one

2-cyclohexyl-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one (PubChem CID 11853010) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-cyclohexyl-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-cyclohexyl-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one
PubChem CID11853010
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-cyclohexyl-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one
SMILESCC1=NN(C2CCCCC2)C(=O)C1c1cc(C)[nH]n1
InChIInChI=1S/C14H20N4O/c1-9-8-12(16-15-9)13-10(2)17-18(14(13)19)11-6-4-3-5-7-11/h8,11,13H,3-7H2,1-2H3,(H,15,16)
InChIKeyZUNQCADWMWMZJP-UHFFFAOYSA-N
XLogP2.35
TPSA61.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(4-methylphenyl)-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one
CID 11852694
4-(2-aminoethyl)-2-cycloheptyl-5-methyl-4H-pyrazol-3-one
CID 63971450
2-(4-tert-butylphenyl)-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one
CID 11852791
2-cycloheptyl-5-methyl-4-propan-2-yl-4H-pyrazol-3-one
CID 62913663
3-cyclohexyl-5-methyl-1H-pyrazole;ethane
CID 144662747
4-(3-aminopropyl)-2-cyclohexyl-5-methyl-4H-pyrazol-3-one
CID 63972052
2-(1-cycloheptyl-3-methyl-5-oxo-4H-pyrazol-4-yl)acetic acid
CID 61272408
2-cyclohexyl-4-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one
CID 55229930
4-amino-2-cyclohexyl-5-methyl-1H-pyrazol-3-one
CID 112693118
bis(1,3-dicyclohexyl-5-[(5-methyl-1H-pyrazol-3-yl)diazenyl]-2,6-dioxopyrimidin-4-olate);nickel(2+)
CID 158092300
N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide
CID 65022914
1-cyclopropyl-4-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 71926859

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one?
The IUPAC name of 2-cyclohexyl-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one (CID 11853010) is 2-cyclohexyl-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one.
What is the SMILES notation for 2-cyclohexyl-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one?
The canonical SMILES for 2-cyclohexyl-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one is CC1=NN(C2CCCCC2)C(=O)C1c1cc(C)[nH]n1.
What is the InChIKey of 2-cyclohexyl-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one?
The InChIKey is ZUNQCADWMWMZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9-8-12(16-15-9)13-10(2)17-18(14(13)19)11-6-4-3-5-7-11/h8,11,13H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-cyclohexyl-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one?
2-cyclohexyl-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one has a molecular weight of 260.34 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-4H-pyrazol-3-one is sourced from PubChem (CID 11853010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).