5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C19H21N7O2 — CID 50966507

IUPAC5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1nc(CCC(=O)N2CCn3nc(C(=O)Nc4ccccc4)cc3C2)n[nH]1
InChIInChI=1S/C19H21N7O2/c1-13-20-17(23-22-13)7-8-18(27)25-9-10-26-15(12-25)11-16(24-26)19(28)21-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H,21,28)(H,20,22,23)
InChIKeyZHZTVUYSJQBMLQ-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.54
Rot. Bonds5

About 5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 50966507) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID50966507
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1nc(CCC(=O)N2CCn3nc(C(=O)Nc4ccccc4)cc3C2)n[nH]1
InChIInChI=1S/C19H21N7O2/c1-13-20-17(23-22-13)7-8-18(27)25-9-10-26-15(12-25)11-16(24-26)19(28)21-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H,21,28)(H,20,22,23)
InChIKeyZHZTVUYSJQBMLQ-UHFFFAOYSA-N
XLogP1.54
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 50966507) is 5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1nc(CCC(=O)N2CCn3nc(C(=O)Nc4ccccc4)cc3C2)n[nH]1.
What is the InChIKey of 5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is ZHZTVUYSJQBMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-13-20-17(23-22-13)7-8-18(27)25-9-10-26-15(12-25)11-16(24-26)19(28)21-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H,21,28)(H,20,22,23).
What are the key properties of 5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 50966507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).