furan-2-yl-[5-(2-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone

C18H14N2O3S — CID 135558326

IUPACfuran-2-yl-[5-(2-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1ccco1)N1N=C(c2ccccc2O)CC1c1cccs1
InChIInChI=1S/C18H14N2O3S/c21-15-6-2-1-5-12(15)13-11-14(17-8-4-10-24-17)20(19-13)18(22)16-7-3-9-23-16/h1-10,14,21H,11H2
InChIKeyKONTWVNJNFSLAV-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.04
Rot. Bonds3

About furan-2-yl-[5-(2-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone

furan-2-yl-[5-(2-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 135558326) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is furan-2-yl-[5-(2-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[5-(2-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
PubChem CID135558326
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC Namefuran-2-yl-[5-(2-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1ccco1)N1N=C(c2ccccc2O)CC1c1cccs1
InChIInChI=1S/C18H14N2O3S/c21-15-6-2-1-5-12(15)13-11-14(17-8-4-10-24-17)20(19-13)18(22)16-7-3-9-23-16/h1-10,14,21H,11H2
InChIKeyKONTWVNJNFSLAV-UHFFFAOYSA-N
XLogP4.04
TPSA66.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[5-(2-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of furan-2-yl-[5-(2-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone (CID 135558326) is furan-2-yl-[5-(2-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for furan-2-yl-[5-(2-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for furan-2-yl-[5-(2-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone is O=C(c1ccco1)N1N=C(c2ccccc2O)CC1c1cccs1.
What is the InChIKey of furan-2-yl-[5-(2-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is KONTWVNJNFSLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c21-15-6-2-1-5-12(15)13-11-14(17-8-4-10-24-17)20(19-13)18(22)16-7-3-9-23-16/h1-10,14,21H,11H2.
What are the key properties of furan-2-yl-[5-(2-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone?
furan-2-yl-[5-(2-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 338.39 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[5-(2-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 135558326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).