6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine

C12H7ClF2N4 — CID 175200785

IUPAC6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine
SMILESFC(F)c1cc(-c2cnc3cn[nH]c3n2)ccc1Cl
InChIInChI=1S/C12H7ClF2N4/c13-8-2-1-6(3-7(8)11(14)15)9-4-16-10-5-17-19-12(10)18-9/h1-5,11H,(H,17,18,19)
InChIKeyGHZHTFWREUPTHR-UHFFFAOYSA-N
MW280.67 g/mol
LogP3.61
Rot. Bonds2

About 6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine

6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine (PubChem CID 175200785) has the molecular formula C12H7ClF2N4 and a molecular weight of 280.67 g/mol. Its IUPAC name is 6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine
PubChem CID175200785
Molecular FormulaC12H7ClF2N4
Molecular Weight280.67 g/mol
Exact Mass280.03
IUPAC Name6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine
SMILESFC(F)c1cc(-c2cnc3cn[nH]c3n2)ccc1Cl
InChIInChI=1S/C12H7ClF2N4/c13-8-2-1-6(3-7(8)11(14)15)9-4-16-10-5-17-19-12(10)18-9/h1-5,11H,(H,17,18,19)
InChIKeyGHZHTFWREUPTHR-UHFFFAOYSA-N
XLogP3.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-chlorophenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538792
1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 132166923
1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 132166959
6-chloro-N-(cyclopropylmethyl)-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine
CID 137333978
N-[6-(4-chlorophenyl)-1-methylpyrazolo[3,4-b]pyrazin-3-yl]-2,2,2-trifluoroacetamide
CID 294775
4-(4-Chlorobenzyl)-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)-piperidin-4-ylamine
CID 45142258
3-(4-Chlorophenyl)imidazo[1,2-b]pyridazine
CID 49778526
6-Chloro-3-(3-(trifluoromethyl)phenyl)imidazo[1,2-b]pyridazine
CID 59379853
US10246462, Example 10
CID 134324996
US10155769, Example 23
CID 134450121
US10155769, Example 41
CID 134450138
US10155769, Example 60
CID 134450155

Frequently Asked Questions

What is the IUPAC name of 6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine (CID 175200785) is 6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine is FC(F)c1cc(-c2cnc3cn[nH]c3n2)ccc1Cl.
What is the InChIKey of 6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine?
The InChIKey is GHZHTFWREUPTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2N4/c13-8-2-1-6(3-7(8)11(14)15)9-4-16-10-5-17-19-12(10)18-9/h1-5,11H,(H,17,18,19).
What are the key properties of 6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine?
6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine has a molecular weight of 280.67 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-chloro-3-(difluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 175200785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).