6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]methanone

C16H15FN6O — CID 154786398

IUPAC6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]methanone
SMILESCc1cc(F)cc(-n2cc(C(=O)N3CCn4nccc4C3)nn2)c1
InChIInChI=1S/C16H15FN6O/c1-11-6-12(17)8-14(7-11)23-10-15(19-20-23)16(24)21-4-5-22-13(9-21)2-3-18-22/h2-3,6-8,10H,4-5,9H2,1H3
InChIKeyXIMZNKGZDIVFGB-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.57
Rot. Bonds2

About 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]methanone

6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]methanone (PubChem CID 154786398) has the molecular formula C16H15FN6O and a molecular weight of 326.34 g/mol. Its IUPAC name is 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]methanone
PubChem CID154786398
Molecular FormulaC16H15FN6O
Molecular Weight326.34 g/mol
Exact Mass326.13
IUPAC Name6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]methanone
SMILESCc1cc(F)cc(-n2cc(C(=O)N3CCn4nccc4C3)nn2)c1
InChIInChI=1S/C16H15FN6O/c1-11-6-12(17)8-14(7-11)23-10-15(19-20-23)16(24)21-4-5-22-13(9-21)2-3-18-22/h2-3,6-8,10H,4-5,9H2,1H3
InChIKeyXIMZNKGZDIVFGB-UHFFFAOYSA-N
XLogP1.57
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[1-(3,5-dimethylphenyl)triazol-4-yl]methanone
CID 53489562
(4-aminopiperidin-1-yl)-[1-(3,5-dimethylphenyl)triazol-4-yl]methanone
CID 53489698
6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484267
N-[[1-[1-(3-fluoro-5-methylphenyl)triazole-4-carbonyl]piperidin-4-yl]-methyl-oxo-λ6-sulfanylidene]-2-methylcyclopropane-1-carboxamide
CID 166433353
[4-(3-methylphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 46407910
[1-(3,4-dimethylphenyl)triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 30850391
(4-aminopiperidin-1-yl)-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 119374753
1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one
CID 176702896
[(3R)-3-hydroxypyrrolidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 111561076
6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
CID 136554612
1-(3-bromo-5-methylphenyl)triazole-4-carboxylic acid
CID 107584177
N-[1-[1-[(dimethylamino)methyl]cyclopropanecarbonyl]azetidin-3-yl]-1-(3-fluoro-5-methylphenyl)triazole-4-carboxamide
CID 167915046

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]methanone?
The IUPAC name of 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]methanone (CID 154786398) is 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]methanone.
What is the SMILES notation for 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]methanone?
The canonical SMILES for 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]methanone is Cc1cc(F)cc(-n2cc(C(=O)N3CCn4nccc4C3)nn2)c1.
What is the InChIKey of 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]methanone?
The InChIKey is XIMZNKGZDIVFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O/c1-11-6-12(17)8-14(7-11)23-10-15(19-20-23)16(24)21-4-5-22-13(9-21)2-3-18-22/h2-3,6-8,10H,4-5,9H2,1H3.
What are the key properties of 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]methanone?
6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]methanone has a molecular weight of 326.34 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]methanone is sourced from PubChem (CID 154786398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).