5-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-1H-pyrazol-3-amine

C12H14N4O — CID 117332615

IUPAC5-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-1H-pyrazol-3-amine
SMILESCN1CCOc2c(-c3cc(N)n[nH]3)cccc21
InChIInChI=1S/C12H14N4O/c1-16-5-6-17-12-8(3-2-4-10(12)16)9-7-11(13)15-14-9/h2-4,7H,5-6H2,1H3,(H3,13,14,15)
InChIKeyVPUWBPVOWAGJQP-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.49
Rot. Bonds1

About 5-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-1H-pyrazol-3-amine

5-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-1H-pyrazol-3-amine (PubChem CID 117332615) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-1H-pyrazol-3-amine
PubChem CID117332615
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name5-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-1H-pyrazol-3-amine
SMILESCN1CCOc2c(-c3cc(N)n[nH]3)cccc21
InChIInChI=1S/C12H14N4O/c1-16-5-6-17-12-8(3-2-4-10(12)16)9-7-11(13)15-14-9/h2-4,7H,5-6H2,1H3,(H3,13,14,15)
InChIKeyVPUWBPVOWAGJQP-UHFFFAOYSA-N
XLogP1.49
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]morpholine
CID 2806213
3-amino-5-(6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-1H-pyrazole-4-carbonitrile
CID 118669567
3-amino-5-(6,7-difluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-1H-pyrazole-4-carbonitrile
CID 118669575
4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]morpholine
CID 12247265
6-(3,5-dimethyl-1H-pyrazol-4-yl)-8-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 137956184
5-[3-(dimethylamino)-4-methoxyphenyl]-1H-pyrazol-3-amine
CID 21263007
5-[4-(3-morpholin-4-yl-propoxy)-benzyl]-2H-pyrazol-3-ylamine
CID 22241640
2-methoxy-N-methyl-N-pentyl-3-(1H-pyrazol-5-yl)aniline
CID 53746683
1-(2-methoxyphenyl)-4-[3-[2-(1H-pyrazol-5-yl)phenoxy]propyl]piperazine
CID 54096739
5-(3-Morpholinobenzyloxy)-1h-pyrazol-3-amine
CID 68876317
N'-methyl-N'-[[5-(3-methylidene-4H-1,4-benzoxazin-6-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117671182
N'-methyl-N'-[[5-[3-methylidene-4-(2-methylpropyl)-1,4-benzoxazin-6-yl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117671185

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-1H-pyrazol-3-amine (CID 117332615) is 5-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-1H-pyrazol-3-amine is CN1CCOc2c(-c3cc(N)n[nH]3)cccc21.
What is the InChIKey of 5-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-1H-pyrazol-3-amine?
The InChIKey is VPUWBPVOWAGJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-16-5-6-17-12-8(3-2-4-10(12)16)9-7-11(13)15-14-9/h2-4,7H,5-6H2,1H3,(H3,13,14,15).
What are the key properties of 5-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-1H-pyrazol-3-amine?
5-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-1H-pyrazol-3-amine has a molecular weight of 230.27 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117332615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).