1-(1,4-dioxan-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine

C11H19N3O2 — CID 62126007

IUPAC1-(1,4-dioxan-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine
SMILESCCn1cc(CNCC2COCCO2)cn1
InChIInChI=1S/C11H19N3O2/c1-2-14-8-10(6-13-14)5-12-7-11-9-15-3-4-16-11/h6,8,11-12H,2-5,7,9H2,1H3
InChIKeyXZHSLMYHVVSFQN-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.41
Rot. Bonds5

About 1-(1,4-dioxan-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine

1-(1,4-dioxan-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine (PubChem CID 62126007) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine
PubChem CID62126007
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-(1,4-dioxan-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine
SMILESCCn1cc(CNCC2COCCO2)cn1
InChIInChI=1S/C11H19N3O2/c1-2-14-8-10(6-13-14)5-12-7-11-9-15-3-4-16-11/h6,8,11-12H,2-5,7,9H2,1H3
InChIKeyXZHSLMYHVVSFQN-UHFFFAOYSA-N
XLogP0.41
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,4-dioxan-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 62126341
1-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]methanamine
CID 97337095
N-[(1-ethylpyrazol-4-yl)methyl]oxan-4-amine
CID 62125824
1-ethyl-4-(oxiran-2-ylmethyl)pyrazole
CID 115410523
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-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63243485
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 79579425
N-[(1-benzylpyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine
CID 95758654
N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 54893724
N-[(1-ethylpyrazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411499
N-[(5-bromo-3-pyridinyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 104796776

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine (CID 62126007) is 1-(1,4-dioxan-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine is CCn1cc(CNCC2COCCO2)cn1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine?
The InChIKey is XZHSLMYHVVSFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-14-8-10(6-13-14)5-12-7-11-9-15-3-4-16-11/h6,8,11-12H,2-5,7,9H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine?
1-(1,4-dioxan-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine has a molecular weight of 225.29 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 62126007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).