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

C12H18F3N3O2 — CID 134519448

IUPAC1-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCC(C)c1nn(C)c2c1CNCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C10H17N3.C2HF3O2/c1-7(2)10-8-6-11-5-4-9(8)13(3)12-10;3-2(4,5)1(6)7/h7,11H,4-6H2,1-3H3;(H,6,7)
InChIKeyCDZZSZQDSPLIBM-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.82
Rot. Bonds1

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

1-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 134519448) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
PubChem CID134519448
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name1-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCC(C)c1nn(C)c2c1CNCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C10H17N3.C2HF3O2/c1-7(2)10-8-6-11-5-4-9(8)13(3)12-10;3-2(4,5)1(6)7/h7,11H,4-6H2,1-3H3;(H,6,7)
InChIKeyCDZZSZQDSPLIBM-UHFFFAOYSA-N
XLogP1.82
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid (CID 134519448) is 1-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid is CC(C)c1nn(C)c2c1CNCC2.O=C(O)C(F)(F)F.
What is the InChIKey of 1-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is CDZZSZQDSPLIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.C2HF3O2/c1-7(2)10-8-6-11-5-4-9(8)13(3)12-10;3-2(4,5)1(6)7/h7,11H,4-6H2,1-3H3;(H,6,7).
What are the key properties of 1-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid?
1-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 293.29 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 134519448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).