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

C15H12N2O3 — CID 56834530

IUPAC[5-(4-methoxyphenyl)furan-2-yl]-pyrazol-1-ylmethanone
SMILESCOc1ccc(-c2ccc(C(=O)n3cccn3)o2)cc1
InChIInChI=1S/C15H12N2O3/c1-19-12-5-3-11(4-6-12)13-7-8-14(20-13)15(18)17-10-2-9-16-17/h2-10H,1H3
InChIKeySBBGODNLSAQSEL-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.84
Rot. Bonds3

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

[5-(4-methoxyphenyl)furan-2-yl]-pyrazol-1-ylmethanone (PubChem CID 56834530) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)furan-2-yl]-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)furan-2-yl]-pyrazol-1-ylmethanone
PubChem CID56834530
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name[5-(4-methoxyphenyl)furan-2-yl]-pyrazol-1-ylmethanone
SMILESCOc1ccc(-c2ccc(C(=O)n3cccn3)o2)cc1
InChIInChI=1S/C15H12N2O3/c1-19-12-5-3-11(4-6-12)13-7-8-14(20-13)15(18)17-10-2-9-16-17/h2-10H,1H3
InChIKeySBBGODNLSAQSEL-UHFFFAOYSA-N
XLogP2.84
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)furan-2-yl]-pyrazol-1-ylmethanone?
The IUPAC name of [5-(4-methoxyphenyl)furan-2-yl]-pyrazol-1-ylmethanone (CID 56834530) is [5-(4-methoxyphenyl)furan-2-yl]-pyrazol-1-ylmethanone.
What is the SMILES notation for [5-(4-methoxyphenyl)furan-2-yl]-pyrazol-1-ylmethanone?
The canonical SMILES for [5-(4-methoxyphenyl)furan-2-yl]-pyrazol-1-ylmethanone is COc1ccc(-c2ccc(C(=O)n3cccn3)o2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)furan-2-yl]-pyrazol-1-ylmethanone?
The InChIKey is SBBGODNLSAQSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-19-12-5-3-11(4-6-12)13-7-8-14(20-13)15(18)17-10-2-9-16-17/h2-10H,1H3.
What are the key properties of [5-(4-methoxyphenyl)furan-2-yl]-pyrazol-1-ylmethanone?
[5-(4-methoxyphenyl)furan-2-yl]-pyrazol-1-ylmethanone has a molecular weight of 268.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)furan-2-yl]-pyrazol-1-ylmethanone is sourced from PubChem (CID 56834530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).