1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid

C10H14F3N3O2 — CID 86700290

IUPAC1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCc1nn(C)c2c1CNCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C8H13N3.C2HF3O2/c1-6-7-5-9-4-3-8(7)11(2)10-6;3-2(4,5)1(6)7/h9H,3-5H2,1-2H3;(H,6,7)
InChIKeyPXNRGPDDTMEPNP-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.01
Rot. Bonds

About 1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid

1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 86700290) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
PubChem CID86700290
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCc1nn(C)c2c1CNCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C8H13N3.C2HF3O2/c1-6-7-5-9-4-3-8(7)11(2)10-6;3-2(4,5)1(6)7/h9H,3-5H2,1-2H3;(H,6,7)
InChIKeyPXNRGPDDTMEPNP-UHFFFAOYSA-N
XLogP1.01
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid (CID 86700290) is 1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid is Cc1nn(C)c2c1CNCC2.O=C(O)C(F)(F)F.
What is the InChIKey of 1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is PXNRGPDDTMEPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.C2HF3O2/c1-6-7-5-9-4-3-8(7)11(2)10-6;3-2(4,5)1(6)7/h9H,3-5H2,1-2H3;(H,6,7).
What are the key properties of 1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid?
1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 265.23 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86700290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).