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

C16H22N4O — CID 97060257

IUPAC1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCCn1cc([C@@H]2OCC[C@H]2CNCc2ccccn2)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/t13-,16+/m0/s1
InChIKeyOEVBMRYCPJXQGA-XJKSGUPXSA-N
MW286.38 g/mol
LogP2.17
Rot. Bonds6

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

1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 97060257) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
PubChem CID97060257
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCCn1cc([C@@H]2OCC[C@H]2CNCc2ccccn2)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/t13-,16+/m0/s1
InChIKeyOEVBMRYCPJXQGA-XJKSGUPXSA-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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Related Compounds

1-[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 97060259
1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 154761301
1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 97060246
1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine
CID 96997531
1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 96997495
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 97060263
N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929279
N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 113344558
1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
CID 96997103
N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-phenylprop-2-en-1-amine
CID 71929087
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 96510824
1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine
CID 96510905

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine (CID 97060257) is 1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine is CCn1cc([C@@H]2OCC[C@H]2CNCc2ccccn2)cn1.
What is the InChIKey of 1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is OEVBMRYCPJXQGA-XJKSGUPXSA-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/t13-,16+/m0/s1.
What are the key properties of 1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine?
1-[(2R,3S)-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-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 97060257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).