1-phenyl-2-pyrazol-1-ylethanone

C11H10N2O — CID 2766375

IUPAC1-phenyl-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)c1ccccc1
InChIInChI=1S/C11H10N2O/c14-11(9-13-8-4-7-12-13)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyURKAPRSDRFNYCG-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.77
Rot. Bonds3

About 1-phenyl-2-pyrazol-1-ylethanone

1-phenyl-2-pyrazol-1-ylethanone (PubChem CID 2766375) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-phenyl-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-phenyl-2-pyrazol-1-ylethanone
PubChem CID2766375
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name1-phenyl-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)c1ccccc1
InChIInChI=1S/C11H10N2O/c14-11(9-13-8-4-7-12-13)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyURKAPRSDRFNYCG-UHFFFAOYSA-N
XLogP1.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-pyrazol-1-ylethanone?
The IUPAC name of 1-phenyl-2-pyrazol-1-ylethanone (CID 2766375) is 1-phenyl-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-phenyl-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-phenyl-2-pyrazol-1-ylethanone is O=C(Cn1cccn1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-pyrazol-1-ylethanone?
The InChIKey is URKAPRSDRFNYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c14-11(9-13-8-4-7-12-13)10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 1-phenyl-2-pyrazol-1-ylethanone?
1-phenyl-2-pyrazol-1-ylethanone has a molecular weight of 186.21 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-pyrazol-1-ylethanone is sourced from PubChem (CID 2766375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).