1-(1-phenylpyrazol-4-yl)ethanone

C11H10N2O — CID 822987

IUPAC1-(1-phenylpyrazol-4-yl)ethanone
SMILESCC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C11H10N2O/c1-9(14)10-7-12-13(8-10)11-5-3-2-4-6-11/h2-8H,1H3
InChIKeyZZLLGMSBHKIMHK-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.07
Rot. Bonds2

About 1-(1-phenylpyrazol-4-yl)ethanone

1-(1-phenylpyrazol-4-yl)ethanone (PubChem CID 822987) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-(1-phenylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-phenylpyrazol-4-yl)ethanone
PubChem CID822987
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name1-(1-phenylpyrazol-4-yl)ethanone
SMILESCC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C11H10N2O/c1-9(14)10-7-12-13(8-10)11-5-3-2-4-6-11/h2-8H,1H3
InChIKeyZZLLGMSBHKIMHK-UHFFFAOYSA-N
XLogP2.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(1-phenylpyrazol-4-yl)ethanone (CID 822987) is 1-(1-phenylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(1-phenylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(1-phenylpyrazol-4-yl)ethanone is CC(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-(1-phenylpyrazol-4-yl)ethanone?
The InChIKey is ZZLLGMSBHKIMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-9(14)10-7-12-13(8-10)11-5-3-2-4-6-11/h2-8H,1H3.
What are the key properties of 1-(1-phenylpyrazol-4-yl)ethanone?
1-(1-phenylpyrazol-4-yl)ethanone has a molecular weight of 186.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpyrazol-4-yl)ethanone is sourced from PubChem (CID 822987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).