N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-diethoxyethanamine

C13H25N3O2 — CID 79548132

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-diethoxyethanamine
SMILESCCOC(CNC(C)c1cn(C)nc1C)OCC
InChIInChI=1S/C13H25N3O2/c1-6-17-13(18-7-2)8-14-10(3)12-9-16(5)15-11(12)4/h9-10,13-14H,6-8H2,1-5H3
InChIKeyVYZLAEIFFRJUJS-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.78
Rot. Bonds8

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-diethoxyethanamine

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-diethoxyethanamine (PubChem CID 79548132) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-diethoxyethanamine.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-diethoxyethanamine
PubChem CID79548132
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-diethoxyethanamine
SMILESCCOC(CNC(C)c1cn(C)nc1C)OCC
InChIInChI=1S/C13H25N3O2/c1-6-17-13(18-7-2)8-14-10(3)12-9-16(5)15-11(12)4/h9-10,13-14H,6-8H2,1-5H3
InChIKeyVYZLAEIFFRJUJS-UHFFFAOYSA-N
XLogP1.78
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol
CID 103906693
1-(1,3-dimethylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104577605
1-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 65192315
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115895432
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 65191903
3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103778668
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-propoxypropan-1-amine
CID 82941029
N-(2-butoxyethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65197276
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroethanamine
CID 65192198
N-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65191855
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylprop-2-en-1-amine
CID 115903248
1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-ol
CID 65197340

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-diethoxyethanamine?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-diethoxyethanamine (CID 79548132) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-diethoxyethanamine.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-diethoxyethanamine?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-diethoxyethanamine is CCOC(CNC(C)c1cn(C)nc1C)OCC.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-diethoxyethanamine?
The InChIKey is VYZLAEIFFRJUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-6-17-13(18-7-2)8-14-10(3)12-9-16(5)15-11(12)4/h9-10,13-14H,6-8H2,1-5H3.
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-diethoxyethanamine?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-diethoxyethanamine has a molecular weight of 255.36 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-diethoxyethanamine is sourced from PubChem (CID 79548132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).