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

C15H21N3O2 — CID 96997531

IUPAC1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine
SMILESCCn1cc([C@H]2OCC[C@H]2CNCc2ccco2)cn1
InChIInChI=1S/C15H21N3O2/c1-2-18-11-13(9-17-18)15-12(5-7-20-15)8-16-10-14-4-3-6-19-14/h3-4,6,9,11-12,15-16H,2,5,7-8,10H2,1H3/t12-,15-/m0/s1
InChIKeySHYLLHLPHGACAN-WFASDCNBSA-N
MW275.35 g/mol
LogP2.36
Rot. Bonds6

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

1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine (PubChem CID 96997531) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine
PubChem CID96997531
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine
SMILESCCn1cc([C@H]2OCC[C@H]2CNCc2ccco2)cn1
InChIInChI=1S/C15H21N3O2/c1-2-18-11-13(9-17-18)15-12(5-7-20-15)8-16-10-14-4-3-6-19-14/h3-4,6,9,11-12,15-16H,2,5,7-8,10H2,1H3/t12-,15-/m0/s1
InChIKeySHYLLHLPHGACAN-WFASDCNBSA-N
XLogP2.36
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.36
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-(furan-2-ylmethyl)methanamine
CID 96997534
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-[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 97060259
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 97060257
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-(1H-imidazol-2-ylmethyl)methanamine
CID 97060246
N-[(3,4-dimethoxyphenyl)methyl]-1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 96510842
N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-3-phenylprop-2-en-1-amine
CID 71929087
N-[(2,3-dimethoxyphenyl)methyl]-1-[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 96997518

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine?
The IUPAC name of 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine (CID 96997531) is 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine?
The canonical SMILES for 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine is CCn1cc([C@H]2OCC[C@H]2CNCc2ccco2)cn1.
What is the InChIKey of 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine?
The InChIKey is SHYLLHLPHGACAN-WFASDCNBSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-18-11-13(9-17-18)15-12(5-7-20-15)8-16-10-14-4-3-6-19-14/h3-4,6,9,11-12,15-16H,2,5,7-8,10H2,1H3/t12-,15-/m0/s1.
What are the key properties of 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine?
1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine has a molecular weight of 275.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine is sourced from PubChem (CID 96997531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).