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

C14H14F3N5O — CID 56941935

IUPAC3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine
SMILESCC(C)n1cc(-c2n[nH]c3ccnc(OCC(F)(F)F)c23)cn1
InChIInChI=1S/C14H14F3N5O/c1-8(2)22-6-9(5-19-22)12-11-10(20-21-12)3-4-18-13(11)23-7-14(15,16)17/h3-6,8H,7H2,1-2H3,(H,20,21)
InChIKeyLIELTINCDSBFHI-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.34
Rot. Bonds4

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

3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine (PubChem CID 56941935) has the molecular formula C14H14F3N5O and a molecular weight of 325.29 g/mol. Its IUPAC name is 3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine
PubChem CID56941935
Molecular FormulaC14H14F3N5O
Molecular Weight325.29 g/mol
Exact Mass325.12
IUPAC Name3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine
SMILESCC(C)n1cc(-c2n[nH]c3ccnc(OCC(F)(F)F)c23)cn1
InChIInChI=1S/C14H14F3N5O/c1-8(2)22-6-9(5-19-22)12-11-10(20-21-12)3-4-18-13(11)23-7-14(15,16)17/h3-6,8H,7H2,1-2H3,(H,20,21)
InChIKeyLIELTINCDSBFHI-UHFFFAOYSA-N
XLogP3.34
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.34
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-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine (CID 56941935) is 3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine is CC(C)n1cc(-c2n[nH]c3ccnc(OCC(F)(F)F)c23)cn1.
What is the InChIKey of 3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is LIELTINCDSBFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O/c1-8(2)22-6-9(5-19-22)12-11-10(20-21-12)3-4-18-13(11)23-7-14(15,16)17/h3-6,8H,7H2,1-2H3,(H,20,21).
What are the key properties of 3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine?
3-(1-propan-2-ylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 325.29 g/mol, XLogP of 3.34, 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-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 56941935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).