3-(1-propan-2-ylpyrazol-4-yl)-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyrazolo[4,3-c]pyridine

C15H16F3N5O — CID 66826525

IUPAC3-(1-propan-2-ylpyrazol-4-yl)-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyrazolo[4,3-c]pyridine
SMILESCC(C)n1cc(-c2n[nH]c3ccnc(OC(C)C(F)(F)F)c23)cn1
InChIInChI=1S/C15H16F3N5O/c1-8(2)23-7-10(6-20-23)13-12-11(21-22-13)4-5-19-14(12)24-9(3)15(16,17)18/h4-9H,1-3H3,(H,21,22)
InChIKeyGUMPWULEVGVOEL-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.73
Rot. Bonds4

About 3-(1-propan-2-ylpyrazol-4-yl)-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyrazolo[4,3-c]pyridine

3-(1-propan-2-ylpyrazol-4-yl)-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyrazolo[4,3-c]pyridine (PubChem CID 66826525) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is 3-(1-propan-2-ylpyrazol-4-yl)-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(1-propan-2-ylpyrazol-4-yl)-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyrazolo[4,3-c]pyridine
PubChem CID66826525
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC Name3-(1-propan-2-ylpyrazol-4-yl)-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyrazolo[4,3-c]pyridine
SMILESCC(C)n1cc(-c2n[nH]c3ccnc(OC(C)C(F)(F)F)c23)cn1
InChIInChI=1S/C15H16F3N5O/c1-8(2)23-7-10(6-20-23)13-12-11(21-22-13)4-5-19-14(12)24-9(3)15(16,17)18/h4-9H,1-3H3,(H,21,22)
InChIKeyGUMPWULEVGVOEL-UHFFFAOYSA-N
XLogP3.73
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylpyrazol-4-yl)-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(1-propan-2-ylpyrazol-4-yl)-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyrazolo[4,3-c]pyridine (CID 66826525) is 3-(1-propan-2-ylpyrazol-4-yl)-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(1-propan-2-ylpyrazol-4-yl)-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(1-propan-2-ylpyrazol-4-yl)-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyrazolo[4,3-c]pyridine is CC(C)n1cc(-c2n[nH]c3ccnc(OC(C)C(F)(F)F)c23)cn1.
What is the InChIKey of 3-(1-propan-2-ylpyrazol-4-yl)-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is GUMPWULEVGVOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O/c1-8(2)23-7-10(6-20-23)13-12-11(21-22-13)4-5-19-14(12)24-9(3)15(16,17)18/h4-9H,1-3H3,(H,21,22).
What are the key properties of 3-(1-propan-2-ylpyrazol-4-yl)-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyrazolo[4,3-c]pyridine?
3-(1-propan-2-ylpyrazol-4-yl)-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 339.32 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylpyrazol-4-yl)-4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 66826525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).