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

C16H25N5O — CID 96510895

IUPACN-[(1-ethylimidazol-2-yl)methyl]-1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine
SMILESCCn1cc([C@H]2OCC[C@@H]2CNCc2nccn2CC)cn1
InChIInChI=1S/C16H25N5O/c1-3-20-7-6-18-15(20)11-17-9-13-5-8-22-16(13)14-10-19-21(4-2)12-14/h6-7,10,12-13,16-17H,3-5,8-9,11H2,1-2H3/t13-,16+/m1/s1
InChIKeyBNZGWRQDYPJSRG-CJNGLKHVSA-N
MW303.41 g/mol
LogP1.99
Rot. Bonds7

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

N-[(1-ethylimidazol-2-yl)methyl]-1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine (PubChem CID 96510895) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine
PubChem CID96510895
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine
SMILESCCn1cc([C@H]2OCC[C@@H]2CNCc2nccn2CC)cn1
InChIInChI=1S/C16H25N5O/c1-3-20-7-6-18-15(20)11-17-9-13-5-8-22-16(13)14-10-19-21(4-2)12-14/h6-7,10,12-13,16-17H,3-5,8-9,11H2,1-2H3/t13-,16+/m1/s1
InChIKeyBNZGWRQDYPJSRG-CJNGLKHVSA-N
XLogP1.99
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylimidazol-2-yl)methyl]-1-[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 72124374
9-cyclopropyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]purin-6-amine
CID 164632728
3-cyclopentyl-7-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 164642490
(2R,3S)-2-(1-methylpyrazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]oxan-3-amine
CID 128968523
(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]oxan-3-amine
CID 128996029
N-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-5-fluoropyrimidin-2-amine
CID 137867754
5-fluoro-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]pyrimidin-2-amine
CID 137876165
N-[(1-ethylimidazol-2-yl)methyl]-1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929069
1-[[2-(1H-pyrazol-4-yl)oxan-4-yl]methyl]imidazole
CID 67609562
4-[4-(Imidazol-1-ylmethyl)oxan-2-yl]-1-methylpyrazole
CID 67610164
1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 71929082
1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine
CID 71929310

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine (CID 96510895) is N-[(1-ethylimidazol-2-yl)methyl]-1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine is CCn1cc([C@H]2OCC[C@@H]2CNCc2nccn2CC)cn1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine?
The InChIKey is BNZGWRQDYPJSRG-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H25N5O/c1-3-20-7-6-18-15(20)11-17-9-13-5-8-22-16(13)14-10-19-21(4-2)12-14/h6-7,10,12-13,16-17H,3-5,8-9,11H2,1-2H3/t13-,16+/m1/s1.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine?
N-[(1-ethylimidazol-2-yl)methyl]-1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine has a molecular weight of 303.41 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine is sourced from PubChem (CID 96510895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).