1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2,2-trifluoroethanone

C8H9F3N4O — CID 84581505

IUPAC1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2,2-trifluoroethanone
SMILESNc1n[nH]c2c1CCN(C(=O)C(F)(F)F)C2
InChIInChI=1S/C8H9F3N4O/c9-8(10,11)7(16)15-2-1-4-5(3-15)13-14-6(4)12/h1-3H2,(H3,12,13,14)
InChIKeyVZOBHNQJOXZZBJ-UHFFFAOYSA-N
MW234.18 g/mol
LogP0.44
Rot. Bonds

About 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2,2-trifluoroethanone

1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2,2-trifluoroethanone (PubChem CID 84581505) has the molecular formula C8H9F3N4O and a molecular weight of 234.18 g/mol. Its IUPAC name is 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2,2-trifluoroethanone
PubChem CID84581505
Molecular FormulaC8H9F3N4O
Molecular Weight234.18 g/mol
Exact Mass234.07
IUPAC Name1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2,2-trifluoroethanone
SMILESNc1n[nH]c2c1CCN(C(=O)C(F)(F)F)C2
InChIInChI=1S/C8H9F3N4O/c9-8(10,11)7(16)15-2-1-4-5(3-15)13-14-6(4)12/h1-3H2,(H3,12,13,14)
InChIKeyVZOBHNQJOXZZBJ-UHFFFAOYSA-N
XLogP0.44
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2,2-trifluoroethanone with MolForge

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Related Compounds

tert-butyl 3-amino-2H,4H,5H,6H,7H-pyrazolo(3,4-c)pyridine-6-carboxylate
CID 71695397
5-Acetyl-4,5,6,7-tetrahydro-3-(trifluoromethyl)pyrazolo-[4,3-C]-pyridine
CID 57373291
3-(Trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid
CID 69516954
1-[3-(Trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl]ethanone
CID 89583878
3,3,3-Trifluoro-1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propan-1-one
CID 118491662
1-(3-Ethyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)-3,3,3-trifluoropropan-1-one
CID 118493336
2-Chloro-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl]ethanone
CID 130226308
1-(3-Fluoro-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone
CID 166919318
2H-Pyrazolo[3,4-c]pyridin-3-amine, 4,5,6,7-tetrahydro-
CID 83845389
6-(2,2,2-Trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine
CID 83917576
5-(2,2,2-Trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 83917577
2,2,2-trifluoro-N-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetamide
CID 84581348

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2,2-trifluoroethanone (CID 84581505) is 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2,2-trifluoroethanone is Nc1n[nH]c2c1CCN(C(=O)C(F)(F)F)C2.
What is the InChIKey of 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2,2-trifluoroethanone?
The InChIKey is VZOBHNQJOXZZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O/c9-8(10,11)7(16)15-2-1-4-5(3-15)13-14-6(4)12/h1-3H2,(H3,12,13,14).
What are the key properties of 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2,2-trifluoroethanone?
1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2,2-trifluoroethanone has a molecular weight of 234.18 g/mol, XLogP of 0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 84581505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).