2-(3-aminopyrazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone

C13H17N5O2 — CID 62113566

IUPAC2-(3-aminopyrazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCc1cc(C2CCCN2C(=O)Cn2ccc(N)n2)on1
InChIInChI=1S/C13H17N5O2/c1-9-7-11(20-16-9)10-3-2-5-18(10)13(19)8-17-6-4-12(14)15-17/h4,6-7,10H,2-3,5,8H2,1H3,(H2,14,15)
InChIKeyDQAUERAOTOBAOR-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.13
Rot. Bonds3

About 2-(3-aminopyrazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone

2-(3-aminopyrazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 62113566) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
PubChem CID62113566
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-(3-aminopyrazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCc1cc(C2CCCN2C(=O)Cn2ccc(N)n2)on1
InChIInChI=1S/C13H17N5O2/c1-9-7-11(20-16-9)10-3-2-5-18(10)13(19)8-17-6-4-12(14)15-17/h4,6-7,10H,2-3,5,8H2,1H3,(H2,14,15)
InChIKeyDQAUERAOTOBAOR-UHFFFAOYSA-N
XLogP1.13
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone (CID 62113566) is 2-(3-aminopyrazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone is Cc1cc(C2CCCN2C(=O)Cn2ccc(N)n2)on1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is DQAUERAOTOBAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9-7-11(20-16-9)10-3-2-5-18(10)13(19)8-17-6-4-12(14)15-17/h4,6-7,10H,2-3,5,8H2,1H3,(H2,14,15).
What are the key properties of 2-(3-aminopyrazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone?
2-(3-aminopyrazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 275.31 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 62113566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).