1H-pyrazolo[4,5-c]pyridine;trifluoromethylbenzene

C13H10F3N3 — CID 157412236

IUPAC1H-pyrazolo[4,5-c]pyridine;trifluoromethylbenzene
SMILESFC(F)(F)c1ccccc1.c1cc2[nH]ncc2cn1
InChIInChI=1S/C7H5F3.C6H5N3/c8-7(9,10)6-4-2-1-3-5-6;1-2-7-3-5-4-8-9-6(1)5/h1-5H;1-4H,(H,8,9)
InChIKeyBOKPFWHVDRZDRB-UHFFFAOYSA-N
MW265.24 g/mol
LogP3.66
Rot. Bonds

About 1H-pyrazolo[4,5-c]pyridine;trifluoromethylbenzene

1H-pyrazolo[4,5-c]pyridine;trifluoromethylbenzene (PubChem CID 157412236) has the molecular formula C13H10F3N3 and a molecular weight of 265.24 g/mol. Its IUPAC name is 1H-pyrazolo[4,5-c]pyridine;trifluoromethylbenzene.

Molecular Properties

Compound Name1H-pyrazolo[4,5-c]pyridine;trifluoromethylbenzene
PubChem CID157412236
Molecular FormulaC13H10F3N3
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC Name1H-pyrazolo[4,5-c]pyridine;trifluoromethylbenzene
SMILESFC(F)(F)c1ccccc1.c1cc2[nH]ncc2cn1
InChIInChI=1S/C7H5F3.C6H5N3/c8-7(9,10)6-4-2-1-3-5-6;1-2-7-3-5-4-8-9-6(1)5/h1-5H;1-4H,(H,8,9)
InChIKeyBOKPFWHVDRZDRB-UHFFFAOYSA-N
XLogP3.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1H-indazole;hydrate;hydrochloride
CID 140981891
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indazole
CID 138396393
2-methanimidoylpyridin-3-amine;1H-pyrazolo[4,5-c]pyridine
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1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 108896278

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazolo[4,5-c]pyridine;trifluoromethylbenzene?
The IUPAC name of 1H-pyrazolo[4,5-c]pyridine;trifluoromethylbenzene (CID 157412236) is 1H-pyrazolo[4,5-c]pyridine;trifluoromethylbenzene.
What is the SMILES notation for 1H-pyrazolo[4,5-c]pyridine;trifluoromethylbenzene?
The canonical SMILES for 1H-pyrazolo[4,5-c]pyridine;trifluoromethylbenzene is FC(F)(F)c1ccccc1.c1cc2[nH]ncc2cn1.
What is the InChIKey of 1H-pyrazolo[4,5-c]pyridine;trifluoromethylbenzene?
The InChIKey is BOKPFWHVDRZDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3.C6H5N3/c8-7(9,10)6-4-2-1-3-5-6;1-2-7-3-5-4-8-9-6(1)5/h1-5H;1-4H,(H,8,9).
What are the key properties of 1H-pyrazolo[4,5-c]pyridine;trifluoromethylbenzene?
1H-pyrazolo[4,5-c]pyridine;trifluoromethylbenzene has a molecular weight of 265.24 g/mol, XLogP of 3.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazolo[4,5-c]pyridine;trifluoromethylbenzene is sourced from PubChem (CID 157412236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).