(4-amino-1-ethylpyrazol-3-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

C12H18N4O2 — CID 66391657

IUPAC(4-amino-1-ethylpyrazol-3-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCCn1cc(N)c(C(=O)N2CC3CCC(C2)O3)n1
InChIInChI=1S/C12H18N4O2/c1-2-16-7-10(13)11(14-16)12(17)15-5-8-3-4-9(6-15)18-8/h7-9H,2-6,13H2,1H3
InChIKeySWXBZHRWIXDNGV-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.49
Rot. Bonds2

About (4-amino-1-ethylpyrazol-3-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

(4-amino-1-ethylpyrazol-3-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 66391657) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (4-amino-1-ethylpyrazol-3-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-ethylpyrazol-3-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID66391657
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(4-amino-1-ethylpyrazol-3-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCCn1cc(N)c(C(=O)N2CC3CCC(C2)O3)n1
InChIInChI=1S/C12H18N4O2/c1-2-16-7-10(13)11(14-16)12(17)15-5-8-3-4-9(6-15)18-8/h7-9H,2-6,13H2,1H3
InChIKeySWXBZHRWIXDNGV-UHFFFAOYSA-N
XLogP0.49
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethylpyrazol-3-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (4-amino-1-ethylpyrazol-3-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (CID 66391657) is (4-amino-1-ethylpyrazol-3-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (4-amino-1-ethylpyrazol-3-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (4-amino-1-ethylpyrazol-3-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is CCn1cc(N)c(C(=O)N2CC3CCC(C2)O3)n1.
What is the InChIKey of (4-amino-1-ethylpyrazol-3-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is SWXBZHRWIXDNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-16-7-10(13)11(14-16)12(17)15-5-8-3-4-9(6-15)18-8/h7-9H,2-6,13H2,1H3.
What are the key properties of (4-amino-1-ethylpyrazol-3-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
(4-amino-1-ethylpyrazol-3-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 250.30 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethylpyrazol-3-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 66391657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).