1-cyclopropyl-2-(4-phenylpyrazol-1-yl)ethanone

C14H14N2O — CID 63912454

IUPAC1-cyclopropyl-2-(4-phenylpyrazol-1-yl)ethanone
SMILESO=C(Cn1cc(-c2ccccc2)cn1)C1CC1
InChIInChI=1S/C14H14N2O/c17-14(12-6-7-12)10-16-9-13(8-15-16)11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10H2
InChIKeyHJLLCCPXTPOYPM-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.53
Rot. Bonds4

About 1-cyclopropyl-2-(4-phenylpyrazol-1-yl)ethanone

1-cyclopropyl-2-(4-phenylpyrazol-1-yl)ethanone (PubChem CID 63912454) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4-phenylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(4-phenylpyrazol-1-yl)ethanone
PubChem CID63912454
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-cyclopropyl-2-(4-phenylpyrazol-1-yl)ethanone
SMILESO=C(Cn1cc(-c2ccccc2)cn1)C1CC1
InChIInChI=1S/C14H14N2O/c17-14(12-6-7-12)10-16-9-13(8-15-16)11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10H2
InChIKeyHJLLCCPXTPOYPM-UHFFFAOYSA-N
XLogP2.53
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(4-phenylpyrazol-1-yl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(4-phenylpyrazol-1-yl)ethanone (CID 63912454) is 1-cyclopropyl-2-(4-phenylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(4-phenylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(4-phenylpyrazol-1-yl)ethanone is O=C(Cn1cc(-c2ccccc2)cn1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(4-phenylpyrazol-1-yl)ethanone?
The InChIKey is HJLLCCPXTPOYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-14(12-6-7-12)10-16-9-13(8-15-16)11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10H2.
What are the key properties of 1-cyclopropyl-2-(4-phenylpyrazol-1-yl)ethanone?
1-cyclopropyl-2-(4-phenylpyrazol-1-yl)ethanone has a molecular weight of 226.28 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(4-phenylpyrazol-1-yl)ethanone is sourced from PubChem (CID 63912454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).