1-(3-acetyl-1H-pyrazol-5-yl)-2,2-dimethylpropan-1-one

C10H14N2O2 — CID 134975419

IUPAC1-(3-acetyl-1H-pyrazol-5-yl)-2,2-dimethylpropan-1-one
SMILESCC(=O)c1cc(C(=O)C(C)(C)C)[nH]n1
InChIInChI=1S/C10H14N2O2/c1-6(13)7-5-8(12-11-7)9(14)10(2,3)4/h5H,1-4H3,(H,11,12)
InChIKeyGTCNWEQOFCAVTD-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.84
Rot. Bonds2

About 1-(3-acetyl-1H-pyrazol-5-yl)-2,2-dimethylpropan-1-one

1-(3-acetyl-1H-pyrazol-5-yl)-2,2-dimethylpropan-1-one (PubChem CID 134975419) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(3-acetyl-1H-pyrazol-5-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(3-acetyl-1H-pyrazol-5-yl)-2,2-dimethylpropan-1-one
PubChem CID134975419
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(3-acetyl-1H-pyrazol-5-yl)-2,2-dimethylpropan-1-one
SMILESCC(=O)c1cc(C(=O)C(C)(C)C)[nH]n1
InChIInChI=1S/C10H14N2O2/c1-6(13)7-5-8(12-11-7)9(14)10(2,3)4/h5H,1-4H3,(H,11,12)
InChIKeyGTCNWEQOFCAVTD-UHFFFAOYSA-N
XLogP1.84
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-acetyl-1H-pyrazol-5-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(3-acetyl-1H-pyrazol-5-yl)-2,2-dimethylpropan-1-one (CID 134975419) is 1-(3-acetyl-1H-pyrazol-5-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(3-acetyl-1H-pyrazol-5-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(3-acetyl-1H-pyrazol-5-yl)-2,2-dimethylpropan-1-one is CC(=O)c1cc(C(=O)C(C)(C)C)[nH]n1.
What is the InChIKey of 1-(3-acetyl-1H-pyrazol-5-yl)-2,2-dimethylpropan-1-one?
The InChIKey is GTCNWEQOFCAVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6(13)7-5-8(12-11-7)9(14)10(2,3)4/h5H,1-4H3,(H,11,12).
What are the key properties of 1-(3-acetyl-1H-pyrazol-5-yl)-2,2-dimethylpropan-1-one?
1-(3-acetyl-1H-pyrazol-5-yl)-2,2-dimethylpropan-1-one has a molecular weight of 194.23 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetyl-1H-pyrazol-5-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 134975419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).