1-phenyl-2-(1H-pyrazol-4-yl)ethanone

C11H10N2O — CID 12720083

IUPAC1-phenyl-2-(1H-pyrazol-4-yl)ethanone
SMILESO=C(Cc1cn[nH]c1)c1ccccc1
InChIInChI=1S/C11H10N2O/c14-11(6-9-7-12-13-8-9)10-4-2-1-3-5-10/h1-5,7-8H,6H2,(H,12,13)
InChIKeyLGGAXKDNMMFJGL-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.84
Rot. Bonds3

About 1-phenyl-2-(1H-pyrazol-4-yl)ethanone

1-phenyl-2-(1H-pyrazol-4-yl)ethanone (PubChem CID 12720083) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-phenyl-2-(1H-pyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-phenyl-2-(1H-pyrazol-4-yl)ethanone
PubChem CID12720083
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name1-phenyl-2-(1H-pyrazol-4-yl)ethanone
SMILESO=C(Cc1cn[nH]c1)c1ccccc1
InChIInChI=1S/C11H10N2O/c14-11(6-9-7-12-13-8-9)10-4-2-1-3-5-10/h1-5,7-8H,6H2,(H,12,13)
InChIKeyLGGAXKDNMMFJGL-UHFFFAOYSA-N
XLogP1.84
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(1H-pyrazol-4-yl)ethanone?
The IUPAC name of 1-phenyl-2-(1H-pyrazol-4-yl)ethanone (CID 12720083) is 1-phenyl-2-(1H-pyrazol-4-yl)ethanone.
What is the SMILES notation for 1-phenyl-2-(1H-pyrazol-4-yl)ethanone?
The canonical SMILES for 1-phenyl-2-(1H-pyrazol-4-yl)ethanone is O=C(Cc1cn[nH]c1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(1H-pyrazol-4-yl)ethanone?
The InChIKey is LGGAXKDNMMFJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c14-11(6-9-7-12-13-8-9)10-4-2-1-3-5-10/h1-5,7-8H,6H2,(H,12,13).
What are the key properties of 1-phenyl-2-(1H-pyrazol-4-yl)ethanone?
1-phenyl-2-(1H-pyrazol-4-yl)ethanone has a molecular weight of 186.21 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(1H-pyrazol-4-yl)ethanone is sourced from PubChem (CID 12720083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).