2,4-dimethyl-5-propan-2-yl-4H-pyrazol-3-one

C8H14N2O — CID 129057191

IUPAC2,4-dimethyl-5-propan-2-yl-4H-pyrazol-3-one
SMILESCC(C)C1=NN(C)C(=O)C1C
InChIInChI=1S/C8H14N2O/c1-5(2)7-6(3)8(11)10(4)9-7/h5-6H,1-4H3
InChIKeyWIBLLRDFYNMBBJ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.11
Rot. Bonds1

About 2,4-dimethyl-5-propan-2-yl-4H-pyrazol-3-one

2,4-dimethyl-5-propan-2-yl-4H-pyrazol-3-one (PubChem CID 129057191) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2,4-dimethyl-5-propan-2-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2,4-dimethyl-5-propan-2-yl-4H-pyrazol-3-one
PubChem CID129057191
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2,4-dimethyl-5-propan-2-yl-4H-pyrazol-3-one
SMILESCC(C)C1=NN(C)C(=O)C1C
InChIInChI=1S/C8H14N2O/c1-5(2)7-6(3)8(11)10(4)9-7/h5-6H,1-4H3
InChIKeyWIBLLRDFYNMBBJ-UHFFFAOYSA-N
XLogP1.11
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-propan-2-yl-4H-pyrazol-3-one?
The IUPAC name of 2,4-dimethyl-5-propan-2-yl-4H-pyrazol-3-one (CID 129057191) is 2,4-dimethyl-5-propan-2-yl-4H-pyrazol-3-one.
What is the SMILES notation for 2,4-dimethyl-5-propan-2-yl-4H-pyrazol-3-one?
The canonical SMILES for 2,4-dimethyl-5-propan-2-yl-4H-pyrazol-3-one is CC(C)C1=NN(C)C(=O)C1C.
What is the InChIKey of 2,4-dimethyl-5-propan-2-yl-4H-pyrazol-3-one?
The InChIKey is WIBLLRDFYNMBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5(2)7-6(3)8(11)10(4)9-7/h5-6H,1-4H3.
What are the key properties of 2,4-dimethyl-5-propan-2-yl-4H-pyrazol-3-one?
2,4-dimethyl-5-propan-2-yl-4H-pyrazol-3-one has a molecular weight of 154.21 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-propan-2-yl-4H-pyrazol-3-one is sourced from PubChem (CID 129057191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).