4-[(3-chlorothiophen-2-yl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole

C15H12ClFN2OS — CID 155961678

IUPAC4-[(3-chlorothiophen-2-yl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole
SMILESFc1ccc(Cn2cc(OCc3sccc3Cl)cn2)cc1
InChIInChI=1S/C15H12ClFN2OS/c16-14-5-6-21-15(14)10-20-13-7-18-19(9-13)8-11-1-3-12(17)4-2-11/h1-7,9H,8,10H2
InChIKeyUYKAFUWAZXHQNH-UHFFFAOYSA-N
MW322.79 g/mol
LogP4.36
Rot. Bonds5

About 4-[(3-chlorothiophen-2-yl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole

4-[(3-chlorothiophen-2-yl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole (PubChem CID 155961678) has the molecular formula C15H12ClFN2OS and a molecular weight of 322.79 g/mol. Its IUPAC name is 4-[(3-chlorothiophen-2-yl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole.

Molecular Properties

Compound Name4-[(3-chlorothiophen-2-yl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole
PubChem CID155961678
Molecular FormulaC15H12ClFN2OS
Molecular Weight322.79 g/mol
Exact Mass322.03
IUPAC Name4-[(3-chlorothiophen-2-yl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole
SMILESFc1ccc(Cn2cc(OCc3sccc3Cl)cn2)cc1
InChIInChI=1S/C15H12ClFN2OS/c16-14-5-6-21-15(14)10-20-13-7-18-19(9-13)8-11-1-3-12(17)4-2-11/h1-7,9H,8,10H2
InChIKeyUYKAFUWAZXHQNH-UHFFFAOYSA-N
XLogP4.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorothiophen-2-yl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole?
The IUPAC name of 4-[(3-chlorothiophen-2-yl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole (CID 155961678) is 4-[(3-chlorothiophen-2-yl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole.
What is the SMILES notation for 4-[(3-chlorothiophen-2-yl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole?
The canonical SMILES for 4-[(3-chlorothiophen-2-yl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole is Fc1ccc(Cn2cc(OCc3sccc3Cl)cn2)cc1.
What is the InChIKey of 4-[(3-chlorothiophen-2-yl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole?
The InChIKey is UYKAFUWAZXHQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2OS/c16-14-5-6-21-15(14)10-20-13-7-18-19(9-13)8-11-1-3-12(17)4-2-11/h1-7,9H,8,10H2.
What are the key properties of 4-[(3-chlorothiophen-2-yl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole?
4-[(3-chlorothiophen-2-yl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole has a molecular weight of 322.79 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorothiophen-2-yl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole is sourced from PubChem (CID 155961678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).