(1S)-N-[[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-pyridin-4-ylethanamine

C16H22N4O — CID 97217303

IUPAC(1S)-N-[[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-pyridin-4-ylethanamine
SMILESC[C@H](NC[C@@H]1CCO[C@@H]1c1cnn(C)c1)c1ccncc1
InChIInChI=1S/C16H22N4O/c1-12(13-3-6-17-7-4-13)18-9-14-5-8-21-16(14)15-10-19-20(2)11-15/h3-4,6-7,10-12,14,16,18H,5,8-9H2,1-2H3/t12-,14-,16-/m0/s1
InChIKeyUWACXJNDNBJIMJ-NOLJZWGESA-N
MW286.38 g/mol
LogP2.24
Rot. Bonds5

About (1S)-N-[[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-pyridin-4-ylethanamine

(1S)-N-[[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-pyridin-4-ylethanamine (PubChem CID 97217303) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (1S)-N-[[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-pyridin-4-ylethanamine
PubChem CID97217303
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(1S)-N-[[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-pyridin-4-ylethanamine
SMILESC[C@H](NC[C@@H]1CCO[C@@H]1c1cnn(C)c1)c1ccncc1
InChIInChI=1S/C16H22N4O/c1-12(13-3-6-17-7-4-13)18-9-14-5-8-21-16(14)15-10-19-20(2)11-15/h3-4,6-7,10-12,14,16,18H,5,8-9H2,1-2H3/t12-,14-,16-/m0/s1
InChIKeyUWACXJNDNBJIMJ-NOLJZWGESA-N
XLogP2.24
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-N-[[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-pyridin-4-ylethanamine with MolForge

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Related Compounds

N-[[2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]propan-2-amine
CID 79365651
1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 97075466
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 97075465
1-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 97006937
1-cyclopropyl-N-[[(2R,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]methanamine
CID 97217161
N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-2-(3-methyl-4-pyridinyl)ethanamine
CID 154761377
1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanamine
CID 71873043
N-[(3-methylimidazol-4-yl)methyl]-1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 154761416
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine
CID 97075757
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]-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 71928582

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1S)-N-[[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-pyridin-4-ylethanamine (CID 97217303) is (1S)-N-[[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1S)-N-[[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1S)-N-[[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-pyridin-4-ylethanamine is C[C@H](NC[C@@H]1CCO[C@@H]1c1cnn(C)c1)c1ccncc1.
What is the InChIKey of (1S)-N-[[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-pyridin-4-ylethanamine?
The InChIKey is UWACXJNDNBJIMJ-NOLJZWGESA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(13-3-6-17-7-4-13)18-9-14-5-8-21-16(14)15-10-19-20(2)11-15/h3-4,6-7,10-12,14,16,18H,5,8-9H2,1-2H3/t12-,14-,16-/m0/s1.
What are the key properties of (1S)-N-[[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-pyridin-4-ylethanamine?
(1S)-N-[[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-pyridin-4-ylethanamine has a molecular weight of 286.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 97217303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).