[4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methylphenyl)methanone

C15H14N2O2 — CID 5203255

IUPAC[4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2=NNCC2c2ccco2)cc1
InChIInChI=1S/C15H14N2O2/c1-10-4-6-11(7-5-10)15(18)14-12(9-16-17-14)13-3-2-8-19-13/h2-8,12,16H,9H2,1H3
InChIKeyITFSQNDCJDZYTA-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.51
Rot. Bonds3

About [4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methylphenyl)methanone

[4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methylphenyl)methanone (PubChem CID 5203255) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is [4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methylphenyl)methanone
PubChem CID5203255
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name[4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2=NNCC2c2ccco2)cc1
InChIInChI=1S/C15H14N2O2/c1-10-4-6-11(7-5-10)15(18)14-12(9-16-17-14)13-3-2-8-19-13/h2-8,12,16H,9H2,1H3
InChIKeyITFSQNDCJDZYTA-UHFFFAOYSA-N
XLogP2.51
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methylphenyl)methanone (CID 5203255) is [4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2=NNCC2c2ccco2)cc1.
What is the InChIKey of [4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methylphenyl)methanone?
The InChIKey is ITFSQNDCJDZYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10-4-6-11(7-5-10)15(18)14-12(9-16-17-14)13-3-2-8-19-13/h2-8,12,16H,9H2,1H3.
What are the key properties of [4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methylphenyl)methanone?
[4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methylphenyl)methanone has a molecular weight of 254.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 5203255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).