[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone

C14H16BrN5O2 — CID 126946755

IUPAC[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone
SMILESO=C(c1cc2n(n1)CCCO2)N1CCC(n2cc(Br)cn2)C1
InChIInChI=1S/C14H16BrN5O2/c15-10-7-16-20(8-10)11-2-4-18(9-11)14(21)12-6-13-19(17-12)3-1-5-22-13/h6-8,11H,1-5,9H2
InChIKeyGNFMRTNNVQIYOM-UHFFFAOYSA-N
MW366.22 g/mol
LogP1.71
Rot. Bonds2

About [3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone

[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone (PubChem CID 126946755) has the molecular formula C14H16BrN5O2 and a molecular weight of 366.22 g/mol. Its IUPAC name is [3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone.

Molecular Properties

Compound Name[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone
PubChem CID126946755
Molecular FormulaC14H16BrN5O2
Molecular Weight366.22 g/mol
Exact Mass365.05
IUPAC Name[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone
SMILESO=C(c1cc2n(n1)CCCO2)N1CCC(n2cc(Br)cn2)C1
InChIInChI=1S/C14H16BrN5O2/c15-10-7-16-20(8-10)11-2-4-18(9-11)14(21)12-6-13-19(17-12)3-1-5-22-13/h6-8,11H,1-5,9H2
InChIKeyGNFMRTNNVQIYOM-UHFFFAOYSA-N
XLogP1.71
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-hydroxyazetidin-1-yl)methanone
CID 71789397
methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidine-4-carboxylate
CID 90536745
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636284
3-(4-bromopyrazol-1-yl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 126946761
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 71789407
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126893285
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255943
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 91627266
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 71789289
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 71789358
4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid
CID 67027237
[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 126946750

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone?
The IUPAC name of [3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone (CID 126946755) is [3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone.
What is the SMILES notation for [3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone?
The canonical SMILES for [3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone is O=C(c1cc2n(n1)CCCO2)N1CCC(n2cc(Br)cn2)C1.
What is the InChIKey of [3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone?
The InChIKey is GNFMRTNNVQIYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5O2/c15-10-7-16-20(8-10)11-2-4-18(9-11)14(21)12-6-13-19(17-12)3-1-5-22-13/h6-8,11H,1-5,9H2.
What are the key properties of [3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone?
[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone has a molecular weight of 366.22 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone is sourced from PubChem (CID 126946755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).