4-methoxy-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine

C12H10F3N5O — CID 56942079

IUPAC4-methoxy-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine
SMILESCOc1nccc2[nH]nc(-c3cnn(CC(F)(F)F)c3)c12
InChIInChI=1S/C12H10F3N5O/c1-21-11-9-8(2-3-16-11)18-19-10(9)7-4-17-20(5-7)6-12(13,14)15/h2-5H,6H2,1H3,(H,18,19)
InChIKeyDHPMJYXBZJTTHK-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.39
Rot. Bonds3

About 4-methoxy-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine

4-methoxy-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine (PubChem CID 56942079) has the molecular formula C12H10F3N5O and a molecular weight of 297.24 g/mol. Its IUPAC name is 4-methoxy-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-methoxy-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine
PubChem CID56942079
Molecular FormulaC12H10F3N5O
Molecular Weight297.24 g/mol
Exact Mass297.08
IUPAC Name4-methoxy-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine
SMILESCOc1nccc2[nH]nc(-c3cnn(CC(F)(F)F)c3)c12
InChIInChI=1S/C12H10F3N5O/c1-21-11-9-8(2-3-16-11)18-19-10(9)7-4-17-20(5-7)6-12(13,14)15/h2-5H,6H2,1H3,(H,18,19)
InChIKeyDHPMJYXBZJTTHK-UHFFFAOYSA-N
XLogP2.39
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 4-methoxy-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine (CID 56942079) is 4-methoxy-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-methoxy-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-methoxy-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine is COc1nccc2[nH]nc(-c3cnn(CC(F)(F)F)c3)c12.
What is the InChIKey of 4-methoxy-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is DHPMJYXBZJTTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5O/c1-21-11-9-8(2-3-16-11)18-19-10(9)7-4-17-20(5-7)6-12(13,14)15/h2-5H,6H2,1H3,(H,18,19).
What are the key properties of 4-methoxy-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine?
4-methoxy-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 297.24 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 56942079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).