N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-2-(3-methyl-4-pyridinyl)ethanamine

C17H24N4O — CID 154761377

IUPACN-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-2-(3-methyl-4-pyridinyl)ethanamine
SMILESCc1cnccc1CCNC[C@H]1CCO[C@@H]1c1cnn(C)c1
InChIInChI=1S/C17H24N4O/c1-13-9-18-6-3-14(13)4-7-19-10-15-5-8-22-17(15)16-11-20-21(2)12-16/h3,6,9,11-12,15,17,19H,4-5,7-8,10H2,1-2H3/t15-,17+/m1/s1
InChIKeyXPXMBOLLNLSRPE-WBVHZDCISA-N
MW300.41 g/mol
LogP2.03
Rot. Bonds6

About N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-2-(3-methyl-4-pyridinyl)ethanamine

N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-2-(3-methyl-4-pyridinyl)ethanamine (PubChem CID 154761377) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-2-(3-methyl-4-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-2-(3-methyl-4-pyridinyl)ethanamine
PubChem CID154761377
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-2-(3-methyl-4-pyridinyl)ethanamine
SMILESCc1cnccc1CCNC[C@H]1CCO[C@@H]1c1cnn(C)c1
InChIInChI=1S/C17H24N4O/c1-13-9-18-6-3-14(13)4-7-19-10-15-5-8-22-17(15)16-11-20-21(2)12-16/h3,6,9,11-12,15,17,19H,4-5,7-8,10H2,1-2H3/t15-,17+/m1/s1
InChIKeyXPXMBOLLNLSRPE-WBVHZDCISA-N
XLogP2.03
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-2-(3-methyl-4-pyridinyl)ethanamine with MolForge

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Related Compounds

1-cyclopropyl-N-[[(2R,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]methanamine
CID 97217161
N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 97007866
1-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 97006937
(1S)-N-[[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-pyridin-4-ylethanamine
CID 97217303
1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 97075466
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
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 97075465
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929312
1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]methanamine
CID 154761300
1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanamine
CID 71873043
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 97009867

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-2-(3-methyl-4-pyridinyl)ethanamine?
The IUPAC name of N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-2-(3-methyl-4-pyridinyl)ethanamine (CID 154761377) is N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-2-(3-methyl-4-pyridinyl)ethanamine.
What is the SMILES notation for N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-2-(3-methyl-4-pyridinyl)ethanamine?
The canonical SMILES for N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-2-(3-methyl-4-pyridinyl)ethanamine is Cc1cnccc1CCNC[C@H]1CCO[C@@H]1c1cnn(C)c1.
What is the InChIKey of N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-2-(3-methyl-4-pyridinyl)ethanamine?
The InChIKey is XPXMBOLLNLSRPE-WBVHZDCISA-N. The full InChI is InChI=1S/C17H24N4O/c1-13-9-18-6-3-14(13)4-7-19-10-15-5-8-22-17(15)16-11-20-21(2)12-16/h3,6,9,11-12,15,17,19H,4-5,7-8,10H2,1-2H3/t15-,17+/m1/s1.
What are the key properties of N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-2-(3-methyl-4-pyridinyl)ethanamine?
N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-2-(3-methyl-4-pyridinyl)ethanamine has a molecular weight of 300.41 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-2-(3-methyl-4-pyridinyl)ethanamine is sourced from PubChem (CID 154761377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).