N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine

C15H25N3O2 — CID 71873016

IUPACN-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine
SMILESCCn1cc(C2OCCC2CNC2CCOCC2)cn1
InChIInChI=1S/C15H25N3O2/c1-2-18-11-13(10-17-18)15-12(3-8-20-15)9-16-14-4-6-19-7-5-14/h10-12,14-16H,2-9H2,1H3
InChIKeyCKMDKBBQNOVWAU-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.75
Rot. Bonds5

About N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine

N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine (PubChem CID 71873016) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine
PubChem CID71873016
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine
SMILESCCn1cc(C2OCCC2CNC2CCOCC2)cn1
InChIInChI=1S/C15H25N3O2/c1-2-18-11-13(10-17-18)15-12(3-8-20-15)9-16-14-4-6-19-7-5-14/h10-12,14-16H,2-9H2,1H3
InChIKeyCKMDKBBQNOVWAU-UHFFFAOYSA-N
XLogP1.75
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 113344558
[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 96835165
N-[(1-ethylpyrazol-4-yl)methyl]oxan-4-amine
CID 62125824
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
2-(1-ethylpyrazol-4-yl)oxolan-3-amine
CID 103848592
(2R)-2-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methylamino]-1-morpholin-4-ylpropan-1-one
CID 98787315
1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine
CID 96997531
1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 96997495
1-[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine
CID 96997534
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 97060257
1-[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 97060259

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine?
The IUPAC name of N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine (CID 71873016) is N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine.
What is the SMILES notation for N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine?
The canonical SMILES for N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine is CCn1cc(C2OCCC2CNC2CCOCC2)cn1.
What is the InChIKey of N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine?
The InChIKey is CKMDKBBQNOVWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-18-11-13(10-17-18)15-12(3-8-20-15)9-16-14-4-6-19-7-5-14/h10-12,14-16H,2-9H2,1H3.
What are the key properties of N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine?
N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine has a molecular weight of 279.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine is sourced from PubChem (CID 71873016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).