4-ethyl-8-(1H-pyrazol-4-yl)-2,3-dihydro-1,4-benzoxazine

C13H15N3O — CID 167254291

IUPAC4-ethyl-8-(1H-pyrazol-4-yl)-2,3-dihydro-1,4-benzoxazine
SMILESCCN1CCOc2c(-c3cn[nH]c3)cccc21
InChIInChI=1S/C13H15N3O/c1-2-16-6-7-17-13-11(4-3-5-12(13)16)10-8-14-15-9-10/h3-5,8-9H,2,6-7H2,1H3,(H,14,15)
InChIKeyICCRYWFVCDYQNO-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.30
Rot. Bonds2

About 4-ethyl-8-(1H-pyrazol-4-yl)-2,3-dihydro-1,4-benzoxazine

4-ethyl-8-(1H-pyrazol-4-yl)-2,3-dihydro-1,4-benzoxazine (PubChem CID 167254291) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-ethyl-8-(1H-pyrazol-4-yl)-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-ethyl-8-(1H-pyrazol-4-yl)-2,3-dihydro-1,4-benzoxazine
PubChem CID167254291
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-ethyl-8-(1H-pyrazol-4-yl)-2,3-dihydro-1,4-benzoxazine
SMILESCCN1CCOc2c(-c3cn[nH]c3)cccc21
InChIInChI=1S/C13H15N3O/c1-2-16-6-7-17-13-11(4-3-5-12(13)16)10-8-14-15-9-10/h3-5,8-9H,2,6-7H2,1H3,(H,14,15)
InChIKeyICCRYWFVCDYQNO-UHFFFAOYSA-N
XLogP2.30
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-8-(1H-pyrazol-4-yl)-2,3-dihydro-1,4-benzoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(1H-pyrazol-4-yl)phenyl]boronic acid
CID 67224191
[7-(1H-pyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56716314
4-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-8-ol
CID 117236046
4-(3,4-dihydro-1H-isochromen-5-yl)-1H-pyrazole
CID 137477380
4-(2-fluorophenyl)-1H-pyrazole;hydrochloride
CID 66953451
4-(3-butan-2-yl-2-methylphenyl)-1H-pyrazole
CID 155741527
(2S)-1,1,1-trifluoro-3-[8-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazin-4-yl]propan-2-ol
CID 143581539
4-ethyl-9-nitro-2,3-dihydro-1,4-benzoxazepin-5-one
CID 121378947
4-ethyl-6-[5-(6-methyl-2-pyridinyl)-2H-triazol-4-yl]-2,3-dihydro-1,4-benzoxazine
CID 10471317
4-[(2-ethylpyrazol-3-yl)methyl]-2,3-dihydro-1,4-benzoxazine
CID 91648376
trifluoromethoxybenzene;(2S)-1,1,1-trifluoro-3-[8-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazin-4-yl]propan-2-ol
CID 143581538
4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-8-ol
CID 22448953

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-8-(1H-pyrazol-4-yl)-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-ethyl-8-(1H-pyrazol-4-yl)-2,3-dihydro-1,4-benzoxazine (CID 167254291) is 4-ethyl-8-(1H-pyrazol-4-yl)-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-ethyl-8-(1H-pyrazol-4-yl)-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-ethyl-8-(1H-pyrazol-4-yl)-2,3-dihydro-1,4-benzoxazine is CCN1CCOc2c(-c3cn[nH]c3)cccc21.
What is the InChIKey of 4-ethyl-8-(1H-pyrazol-4-yl)-2,3-dihydro-1,4-benzoxazine?
The InChIKey is ICCRYWFVCDYQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-16-6-7-17-13-11(4-3-5-12(13)16)10-8-14-15-9-10/h3-5,8-9H,2,6-7H2,1H3,(H,14,15).
What are the key properties of 4-ethyl-8-(1H-pyrazol-4-yl)-2,3-dihydro-1,4-benzoxazine?
4-ethyl-8-(1H-pyrazol-4-yl)-2,3-dihydro-1,4-benzoxazine has a molecular weight of 229.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-8-(1H-pyrazol-4-yl)-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 167254291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).