[5-(4-methylphenyl)furan-2-yl]-pyrazol-1-ylmethanone

C15H12N2O2 — CID 56834529

IUPAC[5-(4-methylphenyl)furan-2-yl]-pyrazol-1-ylmethanone
SMILESCc1ccc(-c2ccc(C(=O)n3cccn3)o2)cc1
InChIInChI=1S/C15H12N2O2/c1-11-3-5-12(6-4-11)13-7-8-14(19-13)15(18)17-10-2-9-16-17/h2-10H,1H3
InChIKeyUDNANJAMGXUVDY-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.14
Rot. Bonds2

About [5-(4-methylphenyl)furan-2-yl]-pyrazol-1-ylmethanone

[5-(4-methylphenyl)furan-2-yl]-pyrazol-1-ylmethanone (PubChem CID 56834529) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is [5-(4-methylphenyl)furan-2-yl]-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-methylphenyl)furan-2-yl]-pyrazol-1-ylmethanone
PubChem CID56834529
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name[5-(4-methylphenyl)furan-2-yl]-pyrazol-1-ylmethanone
SMILESCc1ccc(-c2ccc(C(=O)n3cccn3)o2)cc1
InChIInChI=1S/C15H12N2O2/c1-11-3-5-12(6-4-11)13-7-8-14(19-13)15(18)17-10-2-9-16-17/h2-10H,1H3
InChIKeyUDNANJAMGXUVDY-UHFFFAOYSA-N
XLogP3.14
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methylphenyl)furan-2-yl]-pyrazol-1-ylmethanone?
The IUPAC name of [5-(4-methylphenyl)furan-2-yl]-pyrazol-1-ylmethanone (CID 56834529) is [5-(4-methylphenyl)furan-2-yl]-pyrazol-1-ylmethanone.
What is the SMILES notation for [5-(4-methylphenyl)furan-2-yl]-pyrazol-1-ylmethanone?
The canonical SMILES for [5-(4-methylphenyl)furan-2-yl]-pyrazol-1-ylmethanone is Cc1ccc(-c2ccc(C(=O)n3cccn3)o2)cc1.
What is the InChIKey of [5-(4-methylphenyl)furan-2-yl]-pyrazol-1-ylmethanone?
The InChIKey is UDNANJAMGXUVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-11-3-5-12(6-4-11)13-7-8-14(19-13)15(18)17-10-2-9-16-17/h2-10H,1H3.
What are the key properties of [5-(4-methylphenyl)furan-2-yl]-pyrazol-1-ylmethanone?
[5-(4-methylphenyl)furan-2-yl]-pyrazol-1-ylmethanone has a molecular weight of 252.27 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylphenyl)furan-2-yl]-pyrazol-1-ylmethanone is sourced from PubChem (CID 56834529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).