7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine-3-carbonitrile

C9H5F3N4O — CID 172608476

IUPAC7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine-3-carbonitrile
SMILESCOc1ncc(C(F)(F)F)c2c(C#N)n[nH]c12
InChIInChI=1S/C9H5F3N4O/c1-17-8-7-6(5(2-13)15-16-7)4(3-14-8)9(10,11)12/h3H,1H3,(H,15,16)
InChIKeyNMCYSTAGPHBHFL-UHFFFAOYSA-N
MW242.16 g/mol
LogP1.86
Rot. Bonds1

About 7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine-3-carbonitrile

7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine-3-carbonitrile (PubChem CID 172608476) has the molecular formula C9H5F3N4O and a molecular weight of 242.16 g/mol. Its IUPAC name is 7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine-3-carbonitrile
PubChem CID172608476
Molecular FormulaC9H5F3N4O
Molecular Weight242.16 g/mol
Exact Mass242.04
IUPAC Name7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine-3-carbonitrile
SMILESCOc1ncc(C(F)(F)F)c2c(C#N)n[nH]c12
InChIInChI=1S/C9H5F3N4O/c1-17-8-7-6(5(2-13)15-16-7)4(3-14-8)9(10,11)12/h3H,1H3,(H,15,16)
InChIKeyNMCYSTAGPHBHFL-UHFFFAOYSA-N
XLogP1.86
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine-3-carbonitrile?
The IUPAC name of 7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine-3-carbonitrile (CID 172608476) is 7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine-3-carbonitrile.
What is the SMILES notation for 7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine-3-carbonitrile?
The canonical SMILES for 7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine-3-carbonitrile is COc1ncc(C(F)(F)F)c2c(C#N)n[nH]c12.
What is the InChIKey of 7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine-3-carbonitrile?
The InChIKey is NMCYSTAGPHBHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N4O/c1-17-8-7-6(5(2-13)15-16-7)4(3-14-8)9(10,11)12/h3H,1H3,(H,15,16).
What are the key properties of 7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine-3-carbonitrile?
7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine-3-carbonitrile has a molecular weight of 242.16 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine-3-carbonitrile is sourced from PubChem (CID 172608476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).