1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide

C7H4F3N5O — CID 141444958

IUPAC1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
SMILESNC(=O)c1nn(C(F)(F)F)c2ncncc12
InChIInChI=1S/C7H4F3N5O/c8-7(9,10)15-6-3(1-12-2-13-6)4(14-15)5(11)16/h1-2H,(H2,11,16)
InChIKeyJVSQRQAFGOAYBU-UHFFFAOYSA-N
MW231.14 g/mol
LogP0.40
Rot. Bonds1

About 1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide

1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide (PubChem CID 141444958) has the molecular formula C7H4F3N5O and a molecular weight of 231.14 g/mol. Its IUPAC name is 1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
PubChem CID141444958
Molecular FormulaC7H4F3N5O
Molecular Weight231.14 g/mol
Exact Mass231.04
IUPAC Name1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
SMILESNC(=O)c1nn(C(F)(F)F)c2ncncc12
InChIInChI=1S/C7H4F3N5O/c8-7(9,10)15-6-3(1-12-2-13-6)4(14-15)5(11)16/h1-2H,(H2,11,16)
InChIKeyJVSQRQAFGOAYBU-UHFFFAOYSA-N
XLogP0.40
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.14
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide?
The IUPAC name of 1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide (CID 141444958) is 1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide.
What is the SMILES notation for 1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide?
The canonical SMILES for 1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide is NC(=O)c1nn(C(F)(F)F)c2ncncc12.
What is the InChIKey of 1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide?
The InChIKey is JVSQRQAFGOAYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N5O/c8-7(9,10)15-6-3(1-12-2-13-6)4(14-15)5(11)16/h1-2H,(H2,11,16).
What are the key properties of 1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide?
1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide has a molecular weight of 231.14 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 141444958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).