5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,3'-oxetane]

C10H15N3O — CID 176704306

IUPAC5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,3'-oxetane]
SMILESCN1Cc2ccnn2CC2(COC2)C1
InChIInChI=1S/C10H15N3O/c1-12-4-9-2-3-11-13(9)6-10(5-12)7-14-8-10/h2-3H,4-8H2,1H3
InChIKeyPZVNXWHRIUDTSQ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.35
Rot. Bonds

About 5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,3'-oxetane]

5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,3'-oxetane] (PubChem CID 176704306) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,3'-oxetane].

Molecular Properties

Compound Name5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,3'-oxetane]
PubChem CID176704306
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,3'-oxetane]
SMILESCN1Cc2ccnn2CC2(COC2)C1
InChIInChI=1S/C10H15N3O/c1-12-4-9-2-3-11-13(9)6-10(5-12)7-14-8-10/h2-3H,4-8H2,1H3
InChIKeyPZVNXWHRIUDTSQ-UHFFFAOYSA-N
XLogP0.35
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,3'-oxetane]?
The IUPAC name of 5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,3'-oxetane] (CID 176704306) is 5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,3'-oxetane].
What is the SMILES notation for 5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,3'-oxetane]?
The canonical SMILES for 5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,3'-oxetane] is CN1Cc2ccnn2CC2(COC2)C1.
What is the InChIKey of 5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,3'-oxetane]?
The InChIKey is PZVNXWHRIUDTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-12-4-9-2-3-11-13(9)6-10(5-12)7-14-8-10/h2-3H,4-8H2,1H3.
What are the key properties of 5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,3'-oxetane]?
5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,3'-oxetane] has a molecular weight of 193.25 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylspiro[6,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-7,3'-oxetane] is sourced from PubChem (CID 176704306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).