3-chloro-2-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[3,4-c]pyrazole

C12H10ClFN2S — CID 83192667

IUPAC3-chloro-2-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[3,4-c]pyrazole
SMILESFc1ccc(Cn2nc3c(c2Cl)CSC3)cc1
InChIInChI=1S/C12H10ClFN2S/c13-12-10-6-17-7-11(10)15-16(12)5-8-1-3-9(14)4-2-8/h1-4H,5-7H2
InChIKeyIXTODHNKPHQZQI-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.47
Rot. Bonds2

About 3-chloro-2-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[3,4-c]pyrazole

3-chloro-2-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[3,4-c]pyrazole (PubChem CID 83192667) has the molecular formula C12H10ClFN2S and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-chloro-2-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[3,4-c]pyrazole.

Molecular Properties

Compound Name3-chloro-2-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[3,4-c]pyrazole
PubChem CID83192667
Molecular FormulaC12H10ClFN2S
Molecular Weight268.74 g/mol
Exact Mass268.02
IUPAC Name3-chloro-2-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[3,4-c]pyrazole
SMILESFc1ccc(Cn2nc3c(c2Cl)CSC3)cc1
InChIInChI=1S/C12H10ClFN2S/c13-12-10-6-17-7-11(10)15-16(12)5-8-1-3-9(14)4-2-8/h1-4H,5-7H2
InChIKeyIXTODHNKPHQZQI-UHFFFAOYSA-N
XLogP3.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[3,4-c]pyrazole?
The IUPAC name of 3-chloro-2-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[3,4-c]pyrazole (CID 83192667) is 3-chloro-2-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[3,4-c]pyrazole.
What is the SMILES notation for 3-chloro-2-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[3,4-c]pyrazole?
The canonical SMILES for 3-chloro-2-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[3,4-c]pyrazole is Fc1ccc(Cn2nc3c(c2Cl)CSC3)cc1.
What is the InChIKey of 3-chloro-2-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[3,4-c]pyrazole?
The InChIKey is IXTODHNKPHQZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2S/c13-12-10-6-17-7-11(10)15-16(12)5-8-1-3-9(14)4-2-8/h1-4H,5-7H2.
What are the key properties of 3-chloro-2-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[3,4-c]pyrazole?
3-chloro-2-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[3,4-c]pyrazole has a molecular weight of 268.74 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[3,4-c]pyrazole is sourced from PubChem (CID 83192667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).