6-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C14H14F3N5 — CID 19497806

IUPAC6-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCCn1cc(-c2cc(C(F)(F)F)c3c(C)nn(C)c3n2)cn1
InChIInChI=1S/C14H14F3N5/c1-4-22-7-9(6-18-22)11-5-10(14(15,16)17)12-8(2)20-21(3)13(12)19-11/h5-7H,4H2,1-3H3
InChIKeyBFZLOVHKSRIAKZ-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.18
Rot. Bonds2

About 6-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

6-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 19497806) has the molecular formula C14H14F3N5 and a molecular weight of 309.30 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID19497806
Molecular FormulaC14H14F3N5
Molecular Weight309.30 g/mol
Exact Mass309.12
IUPAC Name6-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCCn1cc(-c2cc(C(F)(F)F)c3c(C)nn(C)c3n2)cn1
InChIInChI=1S/C14H14F3N5/c1-4-22-7-9(6-18-22)11-5-10(14(15,16)17)12-8(2)20-21(3)13(12)19-11/h5-7H,4H2,1-3H3
InChIKeyBFZLOVHKSRIAKZ-UHFFFAOYSA-N
XLogP3.18
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 19497806) is 6-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is CCn1cc(-c2cc(C(F)(F)F)c3c(C)nn(C)c3n2)cn1.
What is the InChIKey of 6-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is BFZLOVHKSRIAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5/c1-4-22-7-9(6-18-22)11-5-10(14(15,16)17)12-8(2)20-21(3)13(12)19-11/h5-7H,4H2,1-3H3.
What are the key properties of 6-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
6-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 309.30 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-4-yl)-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 19497806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).