10-[(2-methylpyrazol-3-yl)methyl]-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene

C18H25N3O2 — CID 175656169

IUPAC10-[(2-methylpyrazol-3-yl)methyl]-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene
SMILESCn1nccc1CN1CCOCCCCOc2ccccc2C1
InChIInChI=1S/C18H25N3O2/c1-20-17(8-9-19-20)15-21-10-13-22-11-4-5-12-23-18-7-3-2-6-16(18)14-21/h2-3,6-9H,4-5,10-15H2,1H3
InChIKeyQCWGJVNCOTZYJX-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.61
Rot. Bonds2

About 10-[(2-methylpyrazol-3-yl)methyl]-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene

10-[(2-methylpyrazol-3-yl)methyl]-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene (PubChem CID 175656169) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 10-[(2-methylpyrazol-3-yl)methyl]-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene.

Molecular Properties

Compound Name10-[(2-methylpyrazol-3-yl)methyl]-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene
PubChem CID175656169
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name10-[(2-methylpyrazol-3-yl)methyl]-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene
SMILESCn1nccc1CN1CCOCCCCOc2ccccc2C1
InChIInChI=1S/C18H25N3O2/c1-20-17(8-9-19-20)15-21-10-13-22-11-4-5-12-23-18-7-3-2-6-16(18)14-21/h2-3,6-9H,4-5,10-15H2,1H3
InChIKeyQCWGJVNCOTZYJX-UHFFFAOYSA-N
XLogP2.61
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[(2-methylpyrazol-3-yl)methyl]-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene?
The IUPAC name of 10-[(2-methylpyrazol-3-yl)methyl]-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene (CID 175656169) is 10-[(2-methylpyrazol-3-yl)methyl]-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene.
What is the SMILES notation for 10-[(2-methylpyrazol-3-yl)methyl]-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene?
The canonical SMILES for 10-[(2-methylpyrazol-3-yl)methyl]-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene is Cn1nccc1CN1CCOCCCCOc2ccccc2C1.
What is the InChIKey of 10-[(2-methylpyrazol-3-yl)methyl]-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene?
The InChIKey is QCWGJVNCOTZYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-20-17(8-9-19-20)15-21-10-13-22-11-4-5-12-23-18-7-3-2-6-16(18)14-21/h2-3,6-9H,4-5,10-15H2,1H3.
What are the key properties of 10-[(2-methylpyrazol-3-yl)methyl]-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene?
10-[(2-methylpyrazol-3-yl)methyl]-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene has a molecular weight of 315.42 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2-methylpyrazol-3-yl)methyl]-2,7-dioxa-10-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene is sourced from PubChem (CID 175656169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).