4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine

C12H9F3N4O — CID 141314942

IUPAC4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine
SMILESCOc1cnc(-n2ccc(C(F)(F)F)n2)c2[nH]ccc12
InChIInChI=1S/C12H9F3N4O/c1-20-8-6-17-11(10-7(8)2-4-16-10)19-5-3-9(18-19)12(13,14)15/h2-6,16H,1H3
InChIKeyKUEMGOKTSBUIQU-UHFFFAOYSA-N
MW282.23 g/mol
LogP2.78
Rot. Bonds2

About 4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine

4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine (PubChem CID 141314942) has the molecular formula C12H9F3N4O and a molecular weight of 282.23 g/mol. Its IUPAC name is 4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine
PubChem CID141314942
Molecular FormulaC12H9F3N4O
Molecular Weight282.23 g/mol
Exact Mass282.07
IUPAC Name4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine
SMILESCOc1cnc(-n2ccc(C(F)(F)F)n2)c2[nH]ccc12
InChIInChI=1S/C12H9F3N4O/c1-20-8-6-17-11(10-7(8)2-4-16-10)19-5-3-9(18-19)12(13,14)15/h2-6,16H,1H3
InChIKeyKUEMGOKTSBUIQU-UHFFFAOYSA-N
XLogP2.78
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine (CID 141314942) is 4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine is COc1cnc(-n2ccc(C(F)(F)F)n2)c2[nH]ccc12.
What is the InChIKey of 4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is KUEMGOKTSBUIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4O/c1-20-8-6-17-11(10-7(8)2-4-16-10)19-5-3-9(18-19)12(13,14)15/h2-6,16H,1H3.
What are the key properties of 4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine?
4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 282.23 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 141314942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).