5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine

C14H15F3N4 — CID 137296443

IUPAC5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)n1ccc(C2=Cc3c(C(F)(F)F)c[nH]c3NC2)n1
InChIInChI=1S/C14H15F3N4/c1-8(2)21-4-3-12(20-21)9-5-10-11(14(15,16)17)7-19-13(10)18-6-9/h3-5,7-8,18-19H,6H2,1-2H3
InChIKeyZUJTVQPNXKKUAN-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.78
Rot. Bonds2

About 5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine

5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 137296443) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID137296443
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)n1ccc(C2=Cc3c(C(F)(F)F)c[nH]c3NC2)n1
InChIInChI=1S/C14H15F3N4/c1-8(2)21-4-3-12(20-21)9-5-10-11(14(15,16)17)7-19-13(10)18-6-9/h3-5,7-8,18-19H,6H2,1-2H3
InChIKeyZUJTVQPNXKKUAN-UHFFFAOYSA-N
XLogP3.78
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 137296443) is 5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine is CC(C)n1ccc(C2=Cc3c(C(F)(F)F)c[nH]c3NC2)n1.
What is the InChIKey of 5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZUJTVQPNXKKUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c1-8(2)21-4-3-12(20-21)9-5-10-11(14(15,16)17)7-19-13(10)18-6-9/h3-5,7-8,18-19H,6H2,1-2H3.
What are the key properties of 5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine?
5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 296.30 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 137296443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).