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

C15H14N2O3 — CID 3557223

IUPAC[4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2=NNCC2c2ccco2)cc1
InChIInChI=1S/C15H14N2O3/c1-19-11-6-4-10(5-7-11)15(18)14-12(9-16-17-14)13-3-2-8-20-13/h2-8,12,16H,9H2,1H3
InChIKeyXWIXMUHTEDBUGI-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.21
Rot. Bonds4

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

[4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 3557223) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is [4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone
PubChem CID3557223
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name[4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2=NNCC2c2ccco2)cc1
InChIInChI=1S/C15H14N2O3/c1-19-11-6-4-10(5-7-11)15(18)14-12(9-16-17-14)13-3-2-8-20-13/h2-8,12,16H,9H2,1H3
InChIKeyXWIXMUHTEDBUGI-UHFFFAOYSA-N
XLogP2.21
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-methoxyphenyl)methanone?
The IUPAC name of [4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone (CID 3557223) is [4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2=NNCC2c2ccco2)cc1.
What is the InChIKey of [4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is XWIXMUHTEDBUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-19-11-6-4-10(5-7-11)15(18)14-12(9-16-17-14)13-3-2-8-20-13/h2-8,12,16H,9H2,1H3.
What are the key properties of [4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone?
[4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 270.29 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 3557223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).