2,2-dimethyl-1-(3-propanoyl-1H-pyrazol-5-yl)propan-1-one

C11H16N2O2 — CID 134909984

IUPAC2,2-dimethyl-1-(3-propanoyl-1H-pyrazol-5-yl)propan-1-one
SMILESCCC(=O)c1cc(C(=O)C(C)(C)C)[nH]n1
InChIInChI=1S/C11H16N2O2/c1-5-9(14)7-6-8(13-12-7)10(15)11(2,3)4/h6H,5H2,1-4H3,(H,12,13)
InChIKeyYNZQECGIOPTOGR-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.23
Rot. Bonds3

About 2,2-dimethyl-1-(3-propanoyl-1H-pyrazol-5-yl)propan-1-one

2,2-dimethyl-1-(3-propanoyl-1H-pyrazol-5-yl)propan-1-one (PubChem CID 134909984) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3-propanoyl-1H-pyrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(3-propanoyl-1H-pyrazol-5-yl)propan-1-one
PubChem CID134909984
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2,2-dimethyl-1-(3-propanoyl-1H-pyrazol-5-yl)propan-1-one
SMILESCCC(=O)c1cc(C(=O)C(C)(C)C)[nH]n1
InChIInChI=1S/C11H16N2O2/c1-5-9(14)7-6-8(13-12-7)10(15)11(2,3)4/h6H,5H2,1-4H3,(H,12,13)
InChIKeyYNZQECGIOPTOGR-UHFFFAOYSA-N
XLogP2.23
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(3-propanoyl-1H-pyrazol-5-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(3-propanoyl-1H-pyrazol-5-yl)propan-1-one (CID 134909984) is 2,2-dimethyl-1-(3-propanoyl-1H-pyrazol-5-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(3-propanoyl-1H-pyrazol-5-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(3-propanoyl-1H-pyrazol-5-yl)propan-1-one is CCC(=O)c1cc(C(=O)C(C)(C)C)[nH]n1.
What is the InChIKey of 2,2-dimethyl-1-(3-propanoyl-1H-pyrazol-5-yl)propan-1-one?
The InChIKey is YNZQECGIOPTOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-5-9(14)7-6-8(13-12-7)10(15)11(2,3)4/h6H,5H2,1-4H3,(H,12,13).
What are the key properties of 2,2-dimethyl-1-(3-propanoyl-1H-pyrazol-5-yl)propan-1-one?
2,2-dimethyl-1-(3-propanoyl-1H-pyrazol-5-yl)propan-1-one has a molecular weight of 208.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(3-propanoyl-1H-pyrazol-5-yl)propan-1-one is sourced from PubChem (CID 134909984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).