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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Related Compounds

7-(1-ethylpyrazol-4-yl)-1-(2-methylphenyl)-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
CID 19614092
7-(1-ethylpyrazol-4-yl)-1-(3-methoxypropyl)-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
CID 29091316
1-butan-2-yl-7-(1-ethylpyrazol-4-yl)-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
CID 44823570
1-[(4-chlorophenyl)methyl]-3-methyl-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29091183
3-cyclopropyl-6-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
CID 29091549
3-methyl-6-(4-methylphenyl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497858
6-(4-tert-butylphenyl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19585668
6-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497805
6-(4-tert-butylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497870
4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine
CID 29090665
6-(1-ethylpyrazol-4-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769306
7-(1-ethylpyrazol-4-yl)-1-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
CID 29090439

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).