N-[[4-[(1-ethylpyrazol-4-yl)methyl]morpholin-3-yl]methyl]ethanamine

C13H24N4O — CID 83099746

IUPACN-[[4-[(1-ethylpyrazol-4-yl)methyl]morpholin-3-yl]methyl]ethanamine
SMILESCCNCC1COCCN1Cc1cnn(CC)c1
InChIInChI=1S/C13H24N4O/c1-3-14-8-13-11-18-6-5-16(13)9-12-7-15-17(4-2)10-12/h7,10,13-14H,3-6,8-9,11H2,1-2H3
InChIKeyBWUHDBHVLZPFQR-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.71
Rot. Bonds6

About N-[[4-[(1-ethylpyrazol-4-yl)methyl]morpholin-3-yl]methyl]ethanamine

N-[[4-[(1-ethylpyrazol-4-yl)methyl]morpholin-3-yl]methyl]ethanamine (PubChem CID 83099746) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[[4-[(1-ethylpyrazol-4-yl)methyl]morpholin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(1-ethylpyrazol-4-yl)methyl]morpholin-3-yl]methyl]ethanamine
PubChem CID83099746
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[[4-[(1-ethylpyrazol-4-yl)methyl]morpholin-3-yl]methyl]ethanamine
SMILESCCNCC1COCCN1Cc1cnn(CC)c1
InChIInChI=1S/C13H24N4O/c1-3-14-8-13-11-18-6-5-16(13)9-12-7-15-17(4-2)10-12/h7,10,13-14H,3-6,8-9,11H2,1-2H3
InChIKeyBWUHDBHVLZPFQR-UHFFFAOYSA-N
XLogP0.71
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(1-ethylpyrazol-4-yl)methyl]morpholin-3-yl]methyl]propan-2-amine
CID 83099773
N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine
CID 99629716
N-[[4-[(4-propan-2-ylphenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 83100725
1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 62126735
N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 83099905
N-[(1-ethylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 62126341
N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]propan-1-amine
CID 83100255
N-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83100002
1-(1,4-dioxan-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine
CID 62126007
N-[(4-butylmorpholin-3-yl)methyl]ethanamine
CID 83100321
[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 62128080
N-[[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 102856201

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(1-ethylpyrazol-4-yl)methyl]morpholin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(1-ethylpyrazol-4-yl)methyl]morpholin-3-yl]methyl]ethanamine (CID 83099746) is N-[[4-[(1-ethylpyrazol-4-yl)methyl]morpholin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(1-ethylpyrazol-4-yl)methyl]morpholin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(1-ethylpyrazol-4-yl)methyl]morpholin-3-yl]methyl]ethanamine is CCNCC1COCCN1Cc1cnn(CC)c1.
What is the InChIKey of N-[[4-[(1-ethylpyrazol-4-yl)methyl]morpholin-3-yl]methyl]ethanamine?
The InChIKey is BWUHDBHVLZPFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-14-8-13-11-18-6-5-16(13)9-12-7-15-17(4-2)10-12/h7,10,13-14H,3-6,8-9,11H2,1-2H3.
What are the key properties of N-[[4-[(1-ethylpyrazol-4-yl)methyl]morpholin-3-yl]methyl]ethanamine?
N-[[4-[(1-ethylpyrazol-4-yl)methyl]morpholin-3-yl]methyl]ethanamine has a molecular weight of 252.36 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(1-ethylpyrazol-4-yl)methyl]morpholin-3-yl]methyl]ethanamine is sourced from PubChem (CID 83099746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).