4-chloro-5-(2-chloro-5-fluoro-4-phenylthiophen-3-yl)-1H-pyrazole

C13H7Cl2FN2S — CID 67683190

IUPAC4-chloro-5-(2-chloro-5-fluoro-4-phenylthiophen-3-yl)-1H-pyrazole
SMILESFc1sc(Cl)c(-c2[nH]ncc2Cl)c1-c1ccccc1
InChIInChI=1S/C13H7Cl2FN2S/c14-8-6-17-18-11(8)10-9(13(16)19-12(10)15)7-4-2-1-3-5-7/h1-6H,(H,17,18)
InChIKeyHRBCPUNREJLNJL-UHFFFAOYSA-N
MW313.18 g/mol
LogP5.25
Rot. Bonds2

About 4-chloro-5-(2-chloro-5-fluoro-4-phenylthiophen-3-yl)-1H-pyrazole

4-chloro-5-(2-chloro-5-fluoro-4-phenylthiophen-3-yl)-1H-pyrazole (PubChem CID 67683190) has the molecular formula C13H7Cl2FN2S and a molecular weight of 313.18 g/mol. Its IUPAC name is 4-chloro-5-(2-chloro-5-fluoro-4-phenylthiophen-3-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-5-(2-chloro-5-fluoro-4-phenylthiophen-3-yl)-1H-pyrazole
PubChem CID67683190
Molecular FormulaC13H7Cl2FN2S
Molecular Weight313.18 g/mol
Exact Mass311.97
IUPAC Name4-chloro-5-(2-chloro-5-fluoro-4-phenylthiophen-3-yl)-1H-pyrazole
SMILESFc1sc(Cl)c(-c2[nH]ncc2Cl)c1-c1ccccc1
InChIInChI=1S/C13H7Cl2FN2S/c14-8-6-17-18-11(8)10-9(13(16)19-12(10)15)7-4-2-1-3-5-7/h1-6H,(H,17,18)
InChIKeyHRBCPUNREJLNJL-UHFFFAOYSA-N
XLogP5.25
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.18
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-chloro-5-fluoro-4-phenylthiophen-3-yl)-1H-pyrazole?
The IUPAC name of 4-chloro-5-(2-chloro-5-fluoro-4-phenylthiophen-3-yl)-1H-pyrazole (CID 67683190) is 4-chloro-5-(2-chloro-5-fluoro-4-phenylthiophen-3-yl)-1H-pyrazole.
What is the SMILES notation for 4-chloro-5-(2-chloro-5-fluoro-4-phenylthiophen-3-yl)-1H-pyrazole?
The canonical SMILES for 4-chloro-5-(2-chloro-5-fluoro-4-phenylthiophen-3-yl)-1H-pyrazole is Fc1sc(Cl)c(-c2[nH]ncc2Cl)c1-c1ccccc1.
What is the InChIKey of 4-chloro-5-(2-chloro-5-fluoro-4-phenylthiophen-3-yl)-1H-pyrazole?
The InChIKey is HRBCPUNREJLNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2S/c14-8-6-17-18-11(8)10-9(13(16)19-12(10)15)7-4-2-1-3-5-7/h1-6H,(H,17,18).
What are the key properties of 4-chloro-5-(2-chloro-5-fluoro-4-phenylthiophen-3-yl)-1H-pyrazole?
4-chloro-5-(2-chloro-5-fluoro-4-phenylthiophen-3-yl)-1H-pyrazole has a molecular weight of 313.18 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-chloro-5-fluoro-4-phenylthiophen-3-yl)-1H-pyrazole is sourced from PubChem (CID 67683190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).