5-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]-1H-pyrazole

C20H16N2O2S — CID 90314782

IUPAC5-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]-1H-pyrazole
SMILESc1cc(-c2ccc(Oc3ccc(OCc4ccsc4)cc3)cc2)[nH]n1
InChIInChI=1S/C20H16N2O2S/c1-3-18(4-2-16(1)20-9-11-21-22-20)24-19-7-5-17(6-8-19)23-13-15-10-12-25-14-15/h1-12,14H,13H2,(H,21,22)
InChIKeyTUTZSFFPLMUNHH-UHFFFAOYSA-N
MW348.43 g/mol
LogP5.51
Rot. Bonds6

About 5-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]-1H-pyrazole

5-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]-1H-pyrazole (PubChem CID 90314782) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 5-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]-1H-pyrazole
PubChem CID90314782
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name5-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]-1H-pyrazole
SMILESc1cc(-c2ccc(Oc3ccc(OCc4ccsc4)cc3)cc2)[nH]n1
InChIInChI=1S/C20H16N2O2S/c1-3-18(4-2-16(1)20-9-11-21-22-20)24-19-7-5-17(6-8-19)23-13-15-10-12-25-14-15/h1-12,14H,13H2,(H,21,22)
InChIKeyTUTZSFFPLMUNHH-UHFFFAOYSA-N
XLogP5.51
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.43
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]-1H-pyrazole?
The IUPAC name of 5-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]-1H-pyrazole (CID 90314782) is 5-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]-1H-pyrazole.
What is the SMILES notation for 5-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]-1H-pyrazole?
The canonical SMILES for 5-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]-1H-pyrazole is c1cc(-c2ccc(Oc3ccc(OCc4ccsc4)cc3)cc2)[nH]n1.
What is the InChIKey of 5-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]-1H-pyrazole?
The InChIKey is TUTZSFFPLMUNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-3-18(4-2-16(1)20-9-11-21-22-20)24-19-7-5-17(6-8-19)23-13-15-10-12-25-14-15/h1-12,14H,13H2,(H,21,22).
What are the key properties of 5-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]-1H-pyrazole?
5-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]-1H-pyrazole has a molecular weight of 348.43 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]-1H-pyrazole is sourced from PubChem (CID 90314782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).