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

C14H19N5O2 — CID 91959287

IUPACN-(2-butan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCCC(C)n1nccc1NC(=O)c1cc2n(n1)CCCO2
InChIInChI=1S/C14H19N5O2/c1-3-10(2)19-12(5-6-15-19)16-14(20)11-9-13-18(17-11)7-4-8-21-13/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,20)
InChIKeyNCJJZAJTRJVIAR-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.09
Rot. Bonds4

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

N-(2-butan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 91959287) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(2-butan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-butan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID91959287
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-(2-butan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCCC(C)n1nccc1NC(=O)c1cc2n(n1)CCCO2
InChIInChI=1S/C14H19N5O2/c1-3-10(2)19-12(5-6-15-19)16-14(20)11-9-13-18(17-11)7-4-8-21-13/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,20)
InChIKeyNCJJZAJTRJVIAR-UHFFFAOYSA-N
XLogP2.09
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylsulfanylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789317
N-[(2R)-4-phenylbutan-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 97104398
N-[3-fluoro-2,6-di(propan-2-yl)phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 175829616
N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide
CID 78793939
N-(2-carbamoylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789320
N-(2-butan-2-ylpyrazol-3-yl)-3,5-dichloro-4-methoxybenzamide
CID 134049613
N-quinolin-8-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789372
N-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 171492021
N-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide
CID 78778639
N-[(2-chlorophenyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789304
1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-[(1-pyrrolidin-1-ylcyclopentyl)methyl]urea
CID 125167603
N-(1-benzylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959265

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 91959287) is N-(2-butan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-(2-butan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-(2-butan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is CCC(C)n1nccc1NC(=O)c1cc2n(n1)CCCO2.
What is the InChIKey of N-(2-butan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is NCJJZAJTRJVIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-3-10(2)19-12(5-6-15-19)16-14(20)11-9-13-18(17-11)7-4-8-21-13/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,20).
What are the key properties of N-(2-butan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-(2-butan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 91959287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).