N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C14H19N5O2 — CID 91959259

IUPACN-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)c1cc2n(n1)CCCO2
InChIInChI=1S/C14H19N5O2/c1-9-11(10(2)18(3)16-9)8-15-14(20)12-7-13-19(17-12)5-4-6-21-13/h7H,4-6,8H2,1-3H3,(H,15,20)
InChIKeyQBTZFGUWTKMUML-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.95
Rot. Bonds3

About N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 91959259) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID91959259
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)c1cc2n(n1)CCCO2
InChIInChI=1S/C14H19N5O2/c1-9-11(10(2)18(3)16-9)8-15-14(20)12-7-13-19(17-12)5-4-6-21-13/h7H,4-6,8H2,1-3H3,(H,15,20)
InChIKeyQBTZFGUWTKMUML-UHFFFAOYSA-N
XLogP0.95
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide with MolForge

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Related Compounds

N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 138002545
N-[(2-pentyl-1,3-dihydroisoindol-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 154773254
N-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536897
5-(furan-2-carbonylamino)-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 51999123
N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-1-ethyl-6-oxopyridazine-3-carboxamide
CID 138005055
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959342
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 35525163
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 112530043
4-(dimethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 110444483
N-(1-adamantyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536932
4-(ethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 79231660
4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79036409

Frequently Asked Questions

What is the IUPAC name of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 91959259) is N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is Cc1nn(C)c(C)c1CNC(=O)c1cc2n(n1)CCCO2.
What is the InChIKey of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is QBTZFGUWTKMUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-9-11(10(2)18(3)16-9)8-15-14(20)12-7-13-19(17-12)5-4-6-21-13/h7H,4-6,8H2,1-3H3,(H,15,20).
What are the key properties of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 91959259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).