1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine

C16H22N4O — CID 71873015

IUPAC1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCCn1cc(C2OCCC2CNCc2ccccn2)cn1
InChIInChI=1S/C16H22N4O/c1-2-20-12-14(10-19-20)16-13(6-8-21-16)9-17-11-15-5-3-4-7-18-15/h3-5,7,10,12-13,16-17H,2,6,8-9,11H2,1H3
InChIKeyOEVBMRYCPJXQGA-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.17
Rot. Bonds6

About 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine

1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 71873015) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
PubChem CID71873015
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCCn1cc(C2OCCC2CNCc2ccccn2)cn1
InChIInChI=1S/C16H22N4O/c1-2-20-12-14(10-19-20)16-13(6-8-21-16)9-17-11-15-5-3-4-7-18-15/h3-5,7,10,12-13,16-17H,2,6,8-9,11H2,1H3
InChIKeyOEVBMRYCPJXQGA-UHFFFAOYSA-N
XLogP2.17
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine (CID 71873015) is 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine is CCn1cc(C2OCCC2CNCc2ccccn2)cn1.
What is the InChIKey of 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is OEVBMRYCPJXQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-20-12-14(10-19-20)16-13(6-8-21-16)9-17-11-15-5-3-4-7-18-15/h3-5,7,10,12-13,16-17H,2,6,8-9,11H2,1H3.
What are the key properties of 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine?
1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 286.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 71873015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).