2-ethyl-1-(1-ethylpyrazol-4-yl)-2-methoxybutan-1-amine

C12H23N3O — CID 116760473

IUPAC2-ethyl-1-(1-ethylpyrazol-4-yl)-2-methoxybutan-1-amine
SMILESCCn1cc(C(N)C(CC)(CC)OC)cn1
InChIInChI=1S/C12H23N3O/c1-5-12(6-2,16-4)11(13)10-8-14-15(7-3)9-10/h8-9,11H,5-7,13H2,1-4H3
InChIKeyCDDJSHHFKTYOTH-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.11
Rot. Bonds6

About 2-ethyl-1-(1-ethylpyrazol-4-yl)-2-methoxybutan-1-amine

2-ethyl-1-(1-ethylpyrazol-4-yl)-2-methoxybutan-1-amine (PubChem CID 116760473) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-ethyl-1-(1-ethylpyrazol-4-yl)-2-methoxybutan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(1-ethylpyrazol-4-yl)-2-methoxybutan-1-amine
PubChem CID116760473
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-ethyl-1-(1-ethylpyrazol-4-yl)-2-methoxybutan-1-amine
SMILESCCn1cc(C(N)C(CC)(CC)OC)cn1
InChIInChI=1S/C12H23N3O/c1-5-12(6-2,16-4)11(13)10-8-14-15(7-3)9-10/h8-9,11H,5-7,13H2,1-4H3
InChIKeyCDDJSHHFKTYOTH-UHFFFAOYSA-N
XLogP2.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-4-yl)-2-methoxy-2-methylbutan-1-amine
CID 116757269
1-(1-ethylpyrazol-4-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79069578
1-(1-ethylpyrazol-4-yl)-2-methoxy-3-methylbutan-1-amine
CID 116719624
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
3-ethoxy-1-(1-ethylpyrazol-4-yl)propan-1-amine
CID 105109341
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 115807994
(2,6-dimethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115815562
1-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103214758
2-amino-1-(1-ethylpyrazol-4-yl)butan-1-ol
CID 103570009
2-ethyl-1-(1-ethylpyrazol-4-yl)butane-1,2-diol
CID 103449416
2-amino-2-(1-ethylpyrazol-4-yl)acetic acid
CID 83873853
1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79412573

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1-ethylpyrazol-4-yl)-2-methoxybutan-1-amine?
The IUPAC name of 2-ethyl-1-(1-ethylpyrazol-4-yl)-2-methoxybutan-1-amine (CID 116760473) is 2-ethyl-1-(1-ethylpyrazol-4-yl)-2-methoxybutan-1-amine.
What is the SMILES notation for 2-ethyl-1-(1-ethylpyrazol-4-yl)-2-methoxybutan-1-amine?
The canonical SMILES for 2-ethyl-1-(1-ethylpyrazol-4-yl)-2-methoxybutan-1-amine is CCn1cc(C(N)C(CC)(CC)OC)cn1.
What is the InChIKey of 2-ethyl-1-(1-ethylpyrazol-4-yl)-2-methoxybutan-1-amine?
The InChIKey is CDDJSHHFKTYOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-12(6-2,16-4)11(13)10-8-14-15(7-3)9-10/h8-9,11H,5-7,13H2,1-4H3.
What are the key properties of 2-ethyl-1-(1-ethylpyrazol-4-yl)-2-methoxybutan-1-amine?
2-ethyl-1-(1-ethylpyrazol-4-yl)-2-methoxybutan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1-ethylpyrazol-4-yl)-2-methoxybutan-1-amine is sourced from PubChem (CID 116760473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).