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

C17H17N5O2 — CID 91959265

IUPACN-(1-benzylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(Nc1ccn(Cc2ccccc2)n1)c1cc2n(n1)CCCO2
InChIInChI=1S/C17H17N5O2/c23-17(14-11-16-22(19-14)8-4-10-24-16)18-15-7-9-21(20-15)12-13-5-2-1-3-6-13/h1-3,5-7,9,11H,4,8,10,12H2,(H,18,20,23)
InChIKeyCURGFTCQNWUPBW-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.16
Rot. Bonds4

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

N-(1-benzylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 91959265) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-(1-benzylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID91959265
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-(1-benzylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(Nc1ccn(Cc2ccccc2)n1)c1cc2n(n1)CCCO2
InChIInChI=1S/C17H17N5O2/c23-17(14-11-16-22(19-14)8-4-10-24-16)18-15-7-9-21(20-15)12-13-5-2-1-3-6-13/h1-3,5-7,9,11H,4,8,10,12H2,(H,18,20,23)
InChIKeyCURGFTCQNWUPBW-UHFFFAOYSA-N
XLogP2.16
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[(2R)-4-phenylbutan-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 97104398
N-(3,3-diphenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536811
N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 136543535
N-(2-carbamoylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789320
N-(2-methylsulfanylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789317
N-benzyl-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536728
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
N-benzyl-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536729
N-(1-benzylpyrazol-3-yl)-3-methylbenzamide
CID 19286119
N-ethyl-N-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536815
1-(1-benzylpyrazol-3-yl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea
CID 78893548
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 91959265) is N-(1-benzylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is O=C(Nc1ccn(Cc2ccccc2)n1)c1cc2n(n1)CCCO2.
What is the InChIKey of N-(1-benzylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is CURGFTCQNWUPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c23-17(14-11-16-22(19-14)8-4-10-24-16)18-15-7-9-21(20-15)12-13-5-2-1-3-6-13/h1-3,5-7,9,11H,4,8,10,12H2,(H,18,20,23).
What are the key properties of N-(1-benzylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-(1-benzylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 91959265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).