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

C12H15F3N4O3 — CID 68940135

IUPACN-cyclopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CC1)c1n[nH]c2c1CNCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C10H14N4O.C2HF3O2/c15-10(12-6-1-2-6)9-7-5-11-4-3-8(7)13-14-9;3-2(4,5)1(6)7/h6,11H,1-5H2,(H,12,15)(H,13,14);(H,6,7)
InChIKeyASBROSHWZKSHKS-UHFFFAOYSA-N
MW320.27 g/mol
LogP0.58
Rot. Bonds2

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

N-cyclopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 68940135) has the molecular formula C12H15F3N4O3 and a molecular weight of 320.27 g/mol. Its IUPAC name is N-cyclopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID68940135
Molecular FormulaC12H15F3N4O3
Molecular Weight320.27 g/mol
Exact Mass320.11
IUPAC NameN-cyclopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CC1)c1n[nH]c2c1CNCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C10H14N4O.C2HF3O2/c15-10(12-6-1-2-6)9-7-5-11-4-3-8(7)13-14-9;3-2(4,5)1(6)7/h6,11H,1-5H2,(H,12,15)(H,13,14);(H,6,7)
InChIKeyASBROSHWZKSHKS-UHFFFAOYSA-N
XLogP0.58
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 68940135) is N-cyclopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC1CC1)c1n[nH]c2c1CNCC2.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ASBROSHWZKSHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O.C2HF3O2/c15-10(12-6-1-2-6)9-7-5-11-4-3-8(7)13-14-9;3-2(4,5)1(6)7/h6,11H,1-5H2,(H,12,15)(H,13,14);(H,6,7).
What are the key properties of N-cyclopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
N-cyclopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 320.27 g/mol, XLogP of 0.58, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68940135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).