2,2-diethoxy-N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine

C12H23N3O2 — CID 79495409

IUPAC2,2-diethoxy-N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCCNC(c1cnn(C)c1)C(OCC)OCC
InChIInChI=1S/C12H23N3O2/c1-5-13-11(10-8-14-15(4)9-10)12(16-6-2)17-7-3/h8-9,11-13H,5-7H2,1-4H3
InChIKeySLKVANSBQSQDMK-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.47
Rot. Bonds8

About 2,2-diethoxy-N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine

2,2-diethoxy-N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 79495409) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2,2-diethoxy-N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
PubChem CID79495409
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2,2-diethoxy-N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCCNC(c1cnn(C)c1)C(OCC)OCC
InChIInChI=1S/C12H23N3O2/c1-5-13-11(10-8-14-15(4)9-10)12(16-6-2)17-7-3/h8-9,11-13H,5-7H2,1-4H3
InChIKeySLKVANSBQSQDMK-UHFFFAOYSA-N
XLogP1.47
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.47
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

N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)-2-propan-2-ylbutan-1-amine
CID 114282093
N-[2,2-diethoxy-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
CID 79496393
N-ethyl-2-methoxy-1-(1-methylpyrazol-4-yl)-2-phenylethanamine
CID 116773030
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
2-ethoxy-3,3-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 116725958
(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 93280089
N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43492399
1-(3,5-dimethylphenyl)-2,2-diethoxy-N-ethylethanamine
CID 79495401
2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetonitrile
CID 43115049
2-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)butan-1-amine
CID 116715354
N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine
CID 115808764
N-[(3,5-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195899

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 2,2-diethoxy-N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine (CID 79495409) is 2,2-diethoxy-N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2,2-diethoxy-N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine is CCNC(c1cnn(C)c1)C(OCC)OCC.
What is the InChIKey of 2,2-diethoxy-N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is SLKVANSBQSQDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-5-13-11(10-8-14-15(4)9-10)12(16-6-2)17-7-3/h8-9,11-13H,5-7H2,1-4H3.
What are the key properties of 2,2-diethoxy-N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine?
2,2-diethoxy-N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 241.33 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 79495409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).