1-[2-(3,3-dimethoxyazetidin-1-yl)ethyl]pyrazol-4-amine

C10H18N4O2 — CID 115319964

IUPAC1-[2-(3,3-dimethoxyazetidin-1-yl)ethyl]pyrazol-4-amine
SMILESCOC1(OC)CN(CCn2cc(N)cn2)C1
InChIInChI=1S/C10H18N4O2/c1-15-10(16-2)7-13(8-10)3-4-14-6-9(11)5-12-14/h5-6H,3-4,7-8,11H2,1-2H3
InChIKeySNQVURWOTRGHTN-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.23
Rot. Bonds5

About 1-[2-(3,3-dimethoxyazetidin-1-yl)ethyl]pyrazol-4-amine

1-[2-(3,3-dimethoxyazetidin-1-yl)ethyl]pyrazol-4-amine (PubChem CID 115319964) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[2-(3,3-dimethoxyazetidin-1-yl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(3,3-dimethoxyazetidin-1-yl)ethyl]pyrazol-4-amine
PubChem CID115319964
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name1-[2-(3,3-dimethoxyazetidin-1-yl)ethyl]pyrazol-4-amine
SMILESCOC1(OC)CN(CCn2cc(N)cn2)C1
InChIInChI=1S/C10H18N4O2/c1-15-10(16-2)7-13(8-10)3-4-14-6-9(11)5-12-14/h5-6H,3-4,7-8,11H2,1-2H3
InChIKeySNQVURWOTRGHTN-UHFFFAOYSA-N
XLogP-0.23
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[2-(3,3-dimethoxyazetidin-1-yl)ethyl]pyrazol-4-amine 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

1-[2-(morpholin-4-yl)ethyl]-1H-pyrazol-4-amine
CID 28394826
1-(2-methoxyethyl)-1H-pyrazol-4-amine
CID 42281885
1-(Oxetan-3-yl)pyrazol-4-amine
CID 67458207
methyl 2-(4-amino-1H-pyrazol-1-yl)acetate
CID 25252393
4-[3-(1,1-Difluoroethoxy)azetidin-1-yl]-1-methylpyrazole
CID 155717202
4-Amino-1-(1-Boc-azetidin-3-yl)-1H-pyrazole
CID 27281526
1-(4-amino-1H-pyrazol-1-yl)-3-(dimethylamino)propan-2-ol
CID 43369894
1-(2-Ethoxyethyl)-1H-pyrazol-4-amine
CID 43457185
1-(2-methoxyethyl)-N-propan-2-ylpyrazol-4-amine
CID 43729119
1-(2-methoxyethyl)-N,N-dimethylpyrazol-4-amine
CID 59319950
2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-methylacetamide
CID 61125180
1-(2-Isopropoxyethyl)-1h-pyrazol-4-amine
CID 61485199

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-dimethoxyazetidin-1-yl)ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(3,3-dimethoxyazetidin-1-yl)ethyl]pyrazol-4-amine (CID 115319964) is 1-[2-(3,3-dimethoxyazetidin-1-yl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(3,3-dimethoxyazetidin-1-yl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(3,3-dimethoxyazetidin-1-yl)ethyl]pyrazol-4-amine is COC1(OC)CN(CCn2cc(N)cn2)C1.
What is the InChIKey of 1-[2-(3,3-dimethoxyazetidin-1-yl)ethyl]pyrazol-4-amine?
The InChIKey is SNQVURWOTRGHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-15-10(16-2)7-13(8-10)3-4-14-6-9(11)5-12-14/h5-6H,3-4,7-8,11H2,1-2H3.
What are the key properties of 1-[2-(3,3-dimethoxyazetidin-1-yl)ethyl]pyrazol-4-amine?
1-[2-(3,3-dimethoxyazetidin-1-yl)ethyl]pyrazol-4-amine has a molecular weight of 226.28 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-dimethoxyazetidin-1-yl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 115319964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).