N-(3-methyltriazol-4-yl)-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C11H12F3N7O — CID 138025244

IUPACN-(3-methyltriazol-4-yl)-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCn1nncc1NC(=O)N1CCn2nc(C(F)(F)F)cc2C1
InChIInChI=1S/C11H12F3N7O/c1-19-9(5-15-18-19)16-10(22)20-2-3-21-7(6-20)4-8(17-21)11(12,13)14/h4-5H,2-3,6H2,1H3,(H,16,22)
InChIKeyXOCBBSPICPJHLA-UHFFFAOYSA-N
MW315.26 g/mol
LogP1.08
Rot. Bonds1

About N-(3-methyltriazol-4-yl)-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

N-(3-methyltriazol-4-yl)-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 138025244) has the molecular formula C11H12F3N7O and a molecular weight of 315.26 g/mol. Its IUPAC name is N-(3-methyltriazol-4-yl)-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methyltriazol-4-yl)-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID138025244
Molecular FormulaC11H12F3N7O
Molecular Weight315.26 g/mol
Exact Mass315.11
IUPAC NameN-(3-methyltriazol-4-yl)-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCn1nncc1NC(=O)N1CCn2nc(C(F)(F)F)cc2C1
InChIInChI=1S/C11H12F3N7O/c1-19-9(5-15-18-19)16-10(22)20-2-3-21-7(6-20)4-8(17-21)11(12,13)14/h4-5H,2-3,6H2,1H3,(H,16,22)
InChIKeyXOCBBSPICPJHLA-UHFFFAOYSA-N
XLogP1.08
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyltriazol-4-yl)-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of N-(3-methyltriazol-4-yl)-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 138025244) is N-(3-methyltriazol-4-yl)-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for N-(3-methyltriazol-4-yl)-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for N-(3-methyltriazol-4-yl)-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is Cn1nncc1NC(=O)N1CCn2nc(C(F)(F)F)cc2C1.
What is the InChIKey of N-(3-methyltriazol-4-yl)-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is XOCBBSPICPJHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N7O/c1-19-9(5-15-18-19)16-10(22)20-2-3-21-7(6-20)4-8(17-21)11(12,13)14/h4-5H,2-3,6H2,1H3,(H,16,22).
What are the key properties of N-(3-methyltriazol-4-yl)-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
N-(3-methyltriazol-4-yl)-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 315.26 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyltriazol-4-yl)-2-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 138025244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).