3-(4-chlorophenyl)-4-fluoro-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole

C13H10ClFN2S — CID 54217621

IUPAC3-(4-chlorophenyl)-4-fluoro-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole
SMILESFC1C(c2ccc(Cl)cc2)N=NC1c1cccs1
InChIInChI=1S/C13H10ClFN2S/c14-9-5-3-8(4-6-9)12-11(15)13(17-16-12)10-2-1-7-18-10/h1-7,11-13H
InChIKeyQAIAVNVWBOZDMY-UHFFFAOYSA-N
MW280.76 g/mol
LogP4.99
Rot. Bonds2

About 3-(4-chlorophenyl)-4-fluoro-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole

3-(4-chlorophenyl)-4-fluoro-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole (PubChem CID 54217621) has the molecular formula C13H10ClFN2S and a molecular weight of 280.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-fluoro-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-fluoro-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole
PubChem CID54217621
Molecular FormulaC13H10ClFN2S
Molecular Weight280.76 g/mol
Exact Mass280.02
IUPAC Name3-(4-chlorophenyl)-4-fluoro-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole
SMILESFC1C(c2ccc(Cl)cc2)N=NC1c1cccs1
InChIInChI=1S/C13H10ClFN2S/c14-9-5-3-8(4-6-9)12-11(15)13(17-16-12)10-2-1-7-18-10/h1-7,11-13H
InChIKeyQAIAVNVWBOZDMY-UHFFFAOYSA-N
XLogP4.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-fluoro-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole?
The IUPAC name of 3-(4-chlorophenyl)-4-fluoro-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole (CID 54217621) is 3-(4-chlorophenyl)-4-fluoro-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-4-fluoro-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-4-fluoro-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole is FC1C(c2ccc(Cl)cc2)N=NC1c1cccs1.
What is the InChIKey of 3-(4-chlorophenyl)-4-fluoro-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole?
The InChIKey is QAIAVNVWBOZDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2S/c14-9-5-3-8(4-6-9)12-11(15)13(17-16-12)10-2-1-7-18-10/h1-7,11-13H.
What are the key properties of 3-(4-chlorophenyl)-4-fluoro-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole?
3-(4-chlorophenyl)-4-fluoro-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole has a molecular weight of 280.76 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-fluoro-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole is sourced from PubChem (CID 54217621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).