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

C14H19N5O2 — CID 71789274

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2cc3n(n2)CCCO3)n1
InChIInChI=1S/C14H19N5O2/c1-10-8-11(2)18(16-10)6-4-15-14(20)12-9-13-19(17-12)5-3-7-21-13/h8-9H,3-7H2,1-2H3,(H,15,20)
InChIKeySRIOFJMAQNAAON-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.91
Rot. Bonds4

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

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 71789274) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID71789274
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2cc3n(n2)CCCO3)n1
InChIInChI=1S/C14H19N5O2/c1-10-8-11(2)18(16-10)6-4-15-14(20)12-9-13-19(17-12)5-3-7-21-13/h8-9H,3-7H2,1-2H3,(H,15,20)
InChIKeySRIOFJMAQNAAON-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789296
ethyl 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamido)acetate
CID 71789299
N-(2-(cyclohex-1-en-1-yl)ethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789301
N-[(S)-5-oxo-3-pyrrolidinyl]-4-oxa-1,7a-diaza-6,7-dihydro-5H-indene-2-carboxamide
CID 97106797
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789350
N-(3-(tert-butyl)isoxazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789276
ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamido)piperidine-1-carboxylate
CID 71789359
N-(2-oxotetrahydrothiophen-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789362
N-((5-methyl-1,3,4-oxadiazol-2-yl)methyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789379
N-(3-methylisothiazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789383
N-(3-(6-oxopyridazin-1(6H)-yl)propyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789384
N-methoxy-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789390

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 71789274) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is Cc1cc(C)n(CCNC(=O)c2cc3n(n2)CCCO3)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is SRIOFJMAQNAAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-8-11(2)18(16-10)6-4-15-14(20)12-9-13-19(17-12)5-3-7-21-13/h8-9H,3-7H2,1-2H3,(H,15,20).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 71789274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).