4-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-2,3-dihydro-1,4-benzoxazine

C15H19N3O2 — CID 75508160

IUPAC4-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-2,3-dihydro-1,4-benzoxazine
SMILESCCn1cc(CN2CCOc3ccc(OC)cc32)cn1
InChIInChI=1S/C15H19N3O2/c1-3-18-11-12(9-16-18)10-17-6-7-20-15-5-4-13(19-2)8-14(15)17/h4-5,8-9,11H,3,6-7,10H2,1-2H3
InChIKeyKWLIUGYNUYXIAV-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.31
Rot. Bonds4

About 4-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-2,3-dihydro-1,4-benzoxazine

4-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-2,3-dihydro-1,4-benzoxazine (PubChem CID 75508160) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-2,3-dihydro-1,4-benzoxazine
PubChem CID75508160
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-2,3-dihydro-1,4-benzoxazine
SMILESCCn1cc(CN2CCOc3ccc(OC)cc32)cn1
InChIInChI=1S/C15H19N3O2/c1-3-18-11-12(9-16-18)10-17-6-7-20-15-5-4-13(19-2)8-14(15)17/h4-5,8-9,11H,3,6-7,10H2,1-2H3
InChIKeyKWLIUGYNUYXIAV-UHFFFAOYSA-N
XLogP2.31
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-2,3-dihydro-1,4-benzoxazine (CID 75508160) is 4-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-2,3-dihydro-1,4-benzoxazine is CCn1cc(CN2CCOc3ccc(OC)cc32)cn1.
What is the InChIKey of 4-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-2,3-dihydro-1,4-benzoxazine?
The InChIKey is KWLIUGYNUYXIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-18-11-12(9-16-18)10-17-6-7-20-15-5-4-13(19-2)8-14(15)17/h4-5,8-9,11H,3,6-7,10H2,1-2H3.
What are the key properties of 4-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-2,3-dihydro-1,4-benzoxazine?
4-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-2,3-dihydro-1,4-benzoxazine has a molecular weight of 273.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrazol-4-yl)methyl]-6-methoxy-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 75508160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).