3-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N,4-dimethylpentan-2-amine

C15H29N3O — CID 116721025

IUPAC3-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N,4-dimethylpentan-2-amine
SMILESCCOC(C(C)C)C(Cc1cc(CC)nn1C)NC
InChIInChI=1S/C15H29N3O/c1-7-12-9-13(18(6)17-12)10-14(16-5)15(11(3)4)19-8-2/h9,11,14-16H,7-8,10H2,1-6H3
InChIKeyDSEDEPHNCVRIER-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.17
Rot. Bonds8

About 3-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N,4-dimethylpentan-2-amine

3-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N,4-dimethylpentan-2-amine (PubChem CID 116721025) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N,4-dimethylpentan-2-amine
PubChem CID116721025
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N,4-dimethylpentan-2-amine
SMILESCCOC(C(C)C)C(Cc1cc(CC)nn1C)NC
InChIInChI=1S/C15H29N3O/c1-7-12-9-13(18(6)17-12)10-14(16-5)15(11(3)4)19-8-2/h9,11,14-16H,7-8,10H2,1-6H3
InChIKeyDSEDEPHNCVRIER-UHFFFAOYSA-N
XLogP2.17
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine
CID 116720461
4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine
CID 105160159
1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ylhydrazine
CID 105201388
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724637
1-(7-bicyclo[4.1.0]heptanyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104999024
1-(4-ethoxyphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104999140
1-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1-ethoxy-N-methylpropan-2-amine
CID 116723522
3-cyclopropyl-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-amine
CID 104999070
1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine
CID 104999036
[1-(2,5-dimethylpyrazol-3-yl)-3-ethoxybutan-2-yl]hydrazine
CID 105222898
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83138444
2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789926

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N,4-dimethylpentan-2-amine?
The IUPAC name of 3-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N,4-dimethylpentan-2-amine (CID 116721025) is 3-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N,4-dimethylpentan-2-amine?
The canonical SMILES for 3-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N,4-dimethylpentan-2-amine is CCOC(C(C)C)C(Cc1cc(CC)nn1C)NC.
What is the InChIKey of 3-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N,4-dimethylpentan-2-amine?
The InChIKey is DSEDEPHNCVRIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-7-12-9-13(18(6)17-12)10-14(16-5)15(11(3)4)19-8-2/h9,11,14-16H,7-8,10H2,1-6H3.
What are the key properties of 3-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N,4-dimethylpentan-2-amine?
3-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N,4-dimethylpentan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 116721025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).