4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide

C15H18F3N7O2 — CID 145225028

IUPAC4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
SMILESCN1C(=O)CCCn2nccc21.NC(=O)c1nc2n(n1)C(C(F)(F)F)CC2
InChIInChI=1S/C8H11N3O.C7H7F3N4O/c1-10-7-4-5-9-11(7)6-2-3-8(10)12;8-7(9,10)3-1-2-4-12-6(5(11)15)13-14(3)4/h4-5H,2-3,6H2,1H3;3H,1-2H2,(H2,11,15)
InChIKeyZSGWLQIEWUCBTK-UHFFFAOYSA-N
MW385.35 g/mol
LogP1.07
Rot. Bonds1

About 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide

4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide (PubChem CID 145225028) has the molecular formula C15H18F3N7O2 and a molecular weight of 385.35 g/mol. Its IUPAC name is 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide.

Molecular Properties

Compound Name4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
PubChem CID145225028
Molecular FormulaC15H18F3N7O2
Molecular Weight385.35 g/mol
Exact Mass385.15
IUPAC Name4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
SMILESCN1C(=O)CCCn2nccc21.NC(=O)c1nc2n(n1)C(C(F)(F)F)CC2
InChIInChI=1S/C8H11N3O.C7H7F3N4O/c1-10-7-4-5-9-11(7)6-2-3-8(10)12;8-7(9,10)3-1-2-4-12-6(5(11)15)13-14(3)4/h4-5H,2-3,6H2,1H3;3H,1-2H2,(H2,11,15)
InChIKeyZSGWLQIEWUCBTK-UHFFFAOYSA-N
XLogP1.07
TPSA111.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide?
The IUPAC name of 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide (CID 145225028) is 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide.
What is the SMILES notation for 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide?
The canonical SMILES for 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide is CN1C(=O)CCCn2nccc21.NC(=O)c1nc2n(n1)C(C(F)(F)F)CC2.
What is the InChIKey of 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide?
The InChIKey is ZSGWLQIEWUCBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.C7H7F3N4O/c1-10-7-4-5-9-11(7)6-2-3-8(10)12;8-7(9,10)3-1-2-4-12-6(5(11)15)13-14(3)4/h4-5H,2-3,6H2,1H3;3H,1-2H2,(H2,11,15).
What are the key properties of 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide?
4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide has a molecular weight of 385.35 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide is sourced from PubChem (CID 145225028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).