2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)acetamide

C8H9F3N4O — CID 84697386

IUPAC2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)acetamide
SMILESO=C(Nc1n[nH]c2c1CNCC2)C(F)(F)F
InChIInChI=1S/C8H9F3N4O/c9-8(10,11)7(16)13-6-4-3-12-2-1-5(4)14-15-6/h12H,1-3H2,(H2,13,14,15,16)
InChIKeyPXRPTGRMFCAQQP-UHFFFAOYSA-N
MW234.18 g/mol
LogP0.56
Rot. Bonds1

About 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)acetamide

2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)acetamide (PubChem CID 84697386) has the molecular formula C8H9F3N4O and a molecular weight of 234.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)acetamide
PubChem CID84697386
Molecular FormulaC8H9F3N4O
Molecular Weight234.18 g/mol
Exact Mass234.07
IUPAC Name2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)acetamide
SMILESO=C(Nc1n[nH]c2c1CNCC2)C(F)(F)F
InChIInChI=1S/C8H9F3N4O/c9-8(10,11)7(16)13-6-4-3-12-2-1-5(4)14-15-6/h12H,1-3H2,(H2,13,14,15,16)
InChIKeyPXRPTGRMFCAQQP-UHFFFAOYSA-N
XLogP0.56
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)acetamide (CID 84697386) is 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)acetamide is O=C(Nc1n[nH]c2c1CNCC2)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)acetamide?
The InChIKey is PXRPTGRMFCAQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O/c9-8(10,11)7(16)13-6-4-3-12-2-1-5(4)14-15-6/h12H,1-3H2,(H2,13,14,15,16).
What are the key properties of 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)acetamide?
2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)acetamide has a molecular weight of 234.18 g/mol, XLogP of 0.56, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)acetamide is sourced from PubChem (CID 84697386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).