[5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol

C17H23N7O2 — CID 91767539

IUPAC[5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol
SMILESCCc1nc(CN2CCCn3nc(C(O)c4ccnn4C)cc3C2)no1
InChIInChI=1S/C17H23N7O2/c1-3-16-19-15(21-26-16)11-23-7-4-8-24-12(10-23)9-13(20-24)17(25)14-5-6-18-22(14)2/h5-6,9,17,25H,3-4,7-8,10-11H2,1-2H3
InChIKeyPSOJHWHNQWGCPN-UHFFFAOYSA-N
MW357.42 g/mol
LogP1.05
Rot. Bonds5

About [5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol

[5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol (PubChem CID 91767539) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is [5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name[5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol
PubChem CID91767539
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC Name[5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol
SMILESCCc1nc(CN2CCCn3nc(C(O)c4ccnn4C)cc3C2)no1
InChIInChI=1S/C17H23N7O2/c1-3-16-19-15(21-26-16)11-23-7-4-8-24-12(10-23)9-13(20-24)17(25)14-5-6-18-22(14)2/h5-6,9,17,25H,3-4,7-8,10-11H2,1-2H3
InChIKeyPSOJHWHNQWGCPN-UHFFFAOYSA-N
XLogP1.05
TPSA98.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of [5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol (CID 91767539) is [5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for [5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for [5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol is CCc1nc(CN2CCCn3nc(C(O)c4ccnn4C)cc3C2)no1.
What is the InChIKey of [5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol?
The InChIKey is PSOJHWHNQWGCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-3-16-19-15(21-26-16)11-23-7-4-8-24-12(10-23)9-13(20-24)17(25)14-5-6-18-22(14)2/h5-6,9,17,25H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of [5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol?
[5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol has a molecular weight of 357.42 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 91767539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).