4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid

C9H10F3N3O4 — CID 172764911

IUPAC4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)c1n[nH]c2c1CCNC2
InChIInChI=1S/C7H9N3O2.C2HF3O2/c11-7(12)6-4-1-2-8-3-5(4)9-10-6;3-2(4,5)1(6)7/h8H,1-3H2,(H,9,10)(H,11,12);(H,6,7)
InChIKeyMEKLIIKDMNCZTI-UHFFFAOYSA-N
MW281.19 g/mol
LogP0.39
Rot. Bonds1

About 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid

4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 172764911) has the molecular formula C9H10F3N3O4 and a molecular weight of 281.19 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID172764911
Molecular FormulaC9H10F3N3O4
Molecular Weight281.19 g/mol
Exact Mass281.06
IUPAC Name4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)c1n[nH]c2c1CCNC2
InChIInChI=1S/C7H9N3O2.C2HF3O2/c11-7(12)6-4-1-2-8-3-5(4)9-10-6;3-2(4,5)1(6)7/h8H,1-3H2,(H,9,10)(H,11,12);(H,6,7)
InChIKeyMEKLIIKDMNCZTI-UHFFFAOYSA-N
XLogP0.39
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylic acid
CID 44441327
5-methyl-4,5,6,7-tetrahydro-2H-pyrazolo(4,3-c)pyridine-3-carboxylic acid hydrochloride hydrate
CID 29892816
4,5,6,7-Tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 37134663
methyl 1H,4H,5H,6H,7H-pyrazolo(3,4-c)pyridine-3-carboxylate hydrochloride
CID 75465245
5-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid hydrochloride
CID 71306090
1-methyl-1H,4H,5H,6H,7H-pyrazolo(3,4-c)pyridine-3-carboxylic acid hydrochloride
CID 75465240
ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate;2,2,2-trifluoroacetic acid
CID 21952836
6-Boc-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid
CID 21952852
methyl 1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxylate
CID 75465246
5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid
CID 83918930
5-[(2,2,2-trifluoroethylamino)methyl]-1H-pyrazole-3-carboxylic acid
CID 156518060
4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbaldehyde;2,2,2-trifluoroacetic acid
CID 162316683

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid (CID 172764911) is 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)c1n[nH]c2c1CCNC2.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is MEKLIIKDMNCZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2.C2HF3O2/c11-7(12)6-4-1-2-8-3-5(4)9-10-6;3-2(4,5)1(6)7/h8H,1-3H2,(H,9,10)(H,11,12);(H,6,7).
What are the key properties of 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 281.19 g/mol, XLogP of 0.39, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172764911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).