(1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine

C11H19N3O — CID 93257811

IUPAC(1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine
SMILESCc1[nH]ncc1CN[C@@H](C)[C@@H]1CCCO1
InChIInChI=1S/C11H19N3O/c1-8-10(7-13-14-8)6-12-9(2)11-4-3-5-15-11/h7,9,11-12H,3-6H2,1-2H3,(H,13,14)/t9-,11-/m0/s1
InChIKeyPLJXSSQMGLEBJH-ONGXEEELSA-N
MW209.29 g/mol
LogP1.38
Rot. Bonds4

About (1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine

(1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine (PubChem CID 93257811) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine
PubChem CID93257811
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine
SMILESCc1[nH]ncc1CN[C@@H](C)[C@@H]1CCCO1
InChIInChI=1S/C11H19N3O/c1-8-10(7-13-14-8)6-12-9(2)11-4-3-5-15-11/h7,9,11-12H,3-6H2,1-2H3,(H,13,14)/t9-,11-/m0/s1
InChIKeyPLJXSSQMGLEBJH-ONGXEEELSA-N
XLogP1.38
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]oxolane-2-carboxamide
CID 103849971
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43663515
N-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208415
5-methyl-4-[[1-(oxolan-2-yl)ethylamino]methyl]furan-2-carboxylic acid
CID 103238599
4-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-4,5-diamine
CID 82236284
N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208430
6-methyl-2-[[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]amino]methyl]pyridin-3-ol
CID 124528159
4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-2-amine
CID 43663741
(2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-1-ol
CID 93257822
methyl 5-methyl-4-[[1-(oxolan-2-yl)ethylamino]methyl]thiophene-2-carboxylate
CID 86789626
N-[(4-tert-butylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43111659
N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 75504160

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine?
The IUPAC name of (1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine (CID 93257811) is (1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine.
What is the SMILES notation for (1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine?
The canonical SMILES for (1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine is Cc1[nH]ncc1CN[C@@H](C)[C@@H]1CCCO1.
What is the InChIKey of (1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine?
The InChIKey is PLJXSSQMGLEBJH-ONGXEEELSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-10(7-13-14-8)6-12-9(2)11-4-3-5-15-11/h7,9,11-12H,3-6H2,1-2H3,(H,13,14)/t9-,11-/m0/s1.
What are the key properties of (1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine?
(1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine is sourced from PubChem (CID 93257811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).