1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)

C11H13F6N3O4 — CID 172748797

IUPAC1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
SMILESCn1ncc2c1CCNC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C7H11N3.2C2HF3O2/c1-10-7-2-3-8-4-6(7)5-9-10;2*3-2(4,5)1(6)7/h5,8H,2-4H2,1H3;2*(H,6,7)
InChIKeyKBXVLFXHOWSXHJ-UHFFFAOYSA-N
MW365.23 g/mol
LogP1.33
Rot. Bonds

About 1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)

1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 172748797) has the molecular formula C11H13F6N3O4 and a molecular weight of 365.23 g/mol. Its IUPAC name is 1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
PubChem CID172748797
Molecular FormulaC11H13F6N3O4
Molecular Weight365.23 g/mol
Exact Mass365.08
IUPAC Name1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
SMILESCn1ncc2c1CCNC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C7H11N3.2C2HF3O2/c1-10-7-2-3-8-4-6(7)5-9-10;2*3-2(4,5)1(6)7/h5,8H,2-4H2,1H3;2*(H,6,7)
InChIKeyKBXVLFXHOWSXHJ-UHFFFAOYSA-N
XLogP1.33
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) (CID 172748797) is 1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) is Cn1ncc2c1CCNC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is KBXVLFXHOWSXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.2C2HF3O2/c1-10-7-2-3-8-4-6(7)5-9-10;2*3-2(4,5)1(6)7/h5,8H,2-4H2,1H3;2*(H,6,7).
What are the key properties of 1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)?
1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 365.23 g/mol, XLogP of 1.33, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 172748797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).