5-methyl-4-(2-methylpropyl)-1,2-dihydropyrazol-3-one

C8H14N2O — CID 50888926

IUPAC5-methyl-4-(2-methylpropyl)-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1CC(C)C
InChIInChI=1S/C8H14N2O/c1-5(2)4-7-6(3)9-10-8(7)11/h5H,4H2,1-3H3,(H2,9,10,11)
InChIKeyWBXVGERWTFXWSX-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.21
Rot. Bonds2

About 5-methyl-4-(2-methylpropyl)-1,2-dihydropyrazol-3-one

5-methyl-4-(2-methylpropyl)-1,2-dihydropyrazol-3-one (PubChem CID 50888926) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-methyl-4-(2-methylpropyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-methyl-4-(2-methylpropyl)-1,2-dihydropyrazol-3-one
PubChem CID50888926
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name5-methyl-4-(2-methylpropyl)-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1CC(C)C
InChIInChI=1S/C8H14N2O/c1-5(2)4-7-6(3)9-10-8(7)11/h5H,4H2,1-3H3,(H2,9,10,11)
InChIKeyWBXVGERWTFXWSX-UHFFFAOYSA-N
XLogP1.21
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-tert-butyl-5-hydroxy-1H-pyrazol-4-yl)propanenitrile
CID 71755925
4-(Cyclopropylmethyl)-5-propyl-1,2-dihydropyrazol-3-one
CID 172434637
4-Heptyl-5-methyl-1,2-dihydropyrazol-3-one
CID 2730790
5-Cyclohexyl-4-methyl-1,2-dihydropyrazol-3-one
CID 91485688
4-(2-Methylpropyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one
CID 83398737
2,3-dimethyl-4-propyl-1H-pyrazol-5-one
CID 139597195
4-Butyl-5-methylpyrazalone
CID 574166
5-Methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-1,2-dihydropyrazol-3-one
CID 4912909
4-Propyl-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one
CID 142823030
3-methyl-4-(propan-2-yl)-1H-pyrazol-5-ol
CID 4285009
4-ethyl-3-methyl-1H-pyrazol-5-ol
CID 4285010
5-Isobutyl-4-methyl-1H-pyrazol-3(2H)-one
CID 10130071

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methylpropyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-methyl-4-(2-methylpropyl)-1,2-dihydropyrazol-3-one (CID 50888926) is 5-methyl-4-(2-methylpropyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-methyl-4-(2-methylpropyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-methyl-4-(2-methylpropyl)-1,2-dihydropyrazol-3-one is Cc1[nH][nH]c(=O)c1CC(C)C.
What is the InChIKey of 5-methyl-4-(2-methylpropyl)-1,2-dihydropyrazol-3-one?
The InChIKey is WBXVGERWTFXWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5(2)4-7-6(3)9-10-8(7)11/h5H,4H2,1-3H3,(H2,9,10,11).
What are the key properties of 5-methyl-4-(2-methylpropyl)-1,2-dihydropyrazol-3-one?
5-methyl-4-(2-methylpropyl)-1,2-dihydropyrazol-3-one has a molecular weight of 154.21 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methylpropyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 50888926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).