cyclopropyl-[4-(3-pyrazin-2-ylpyrazol-1-yl)phenyl]methanone

C17H14N4O — CID 50982201

IUPACcyclopropyl-[4-(3-pyrazin-2-ylpyrazol-1-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2ccc(-c3cnccn3)n2)cc1)C1CC1
InChIInChI=1S/C17H14N4O/c22-17(12-1-2-12)13-3-5-14(6-4-13)21-10-7-15(20-21)16-11-18-8-9-19-16/h3-12H,1-2H2
InChIKeyVQMOFUQZNGHJNP-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.92
Rot. Bonds4

About cyclopropyl-[4-(3-pyrazin-2-ylpyrazol-1-yl)phenyl]methanone

cyclopropyl-[4-(3-pyrazin-2-ylpyrazol-1-yl)phenyl]methanone (PubChem CID 50982201) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is cyclopropyl-[4-(3-pyrazin-2-ylpyrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(3-pyrazin-2-ylpyrazol-1-yl)phenyl]methanone
PubChem CID50982201
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Namecyclopropyl-[4-(3-pyrazin-2-ylpyrazol-1-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2ccc(-c3cnccn3)n2)cc1)C1CC1
InChIInChI=1S/C17H14N4O/c22-17(12-1-2-12)13-3-5-14(6-4-13)21-10-7-15(20-21)16-11-18-8-9-19-16/h3-12H,1-2H2
InChIKeyVQMOFUQZNGHJNP-UHFFFAOYSA-N
XLogP2.92
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(3-pyrazin-2-ylpyrazol-1-yl)phenyl]methanone?
The IUPAC name of cyclopropyl-[4-(3-pyrazin-2-ylpyrazol-1-yl)phenyl]methanone (CID 50982201) is cyclopropyl-[4-(3-pyrazin-2-ylpyrazol-1-yl)phenyl]methanone.
What is the SMILES notation for cyclopropyl-[4-(3-pyrazin-2-ylpyrazol-1-yl)phenyl]methanone?
The canonical SMILES for cyclopropyl-[4-(3-pyrazin-2-ylpyrazol-1-yl)phenyl]methanone is O=C(c1ccc(-n2ccc(-c3cnccn3)n2)cc1)C1CC1.
What is the InChIKey of cyclopropyl-[4-(3-pyrazin-2-ylpyrazol-1-yl)phenyl]methanone?
The InChIKey is VQMOFUQZNGHJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c22-17(12-1-2-12)13-3-5-14(6-4-13)21-10-7-15(20-21)16-11-18-8-9-19-16/h3-12H,1-2H2.
What are the key properties of cyclopropyl-[4-(3-pyrazin-2-ylpyrazol-1-yl)phenyl]methanone?
cyclopropyl-[4-(3-pyrazin-2-ylpyrazol-1-yl)phenyl]methanone has a molecular weight of 290.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(3-pyrazin-2-ylpyrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 50982201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).