1-(1-ethylpyrazol-4-yl)-2-methoxy-3-methylbutan-1-amine

C11H21N3O — CID 116719624

IUPAC1-(1-ethylpyrazol-4-yl)-2-methoxy-3-methylbutan-1-amine
SMILESCCn1cc(C(N)C(OC)C(C)C)cn1
InChIInChI=1S/C11H21N3O/c1-5-14-7-9(6-13-14)10(12)11(15-4)8(2)3/h6-8,10-11H,5,12H2,1-4H3
InChIKeyLIDPPQXSKJAPQZ-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.57
Rot. Bonds5

About 1-(1-ethylpyrazol-4-yl)-2-methoxy-3-methylbutan-1-amine

1-(1-ethylpyrazol-4-yl)-2-methoxy-3-methylbutan-1-amine (PubChem CID 116719624) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-2-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-2-methoxy-3-methylbutan-1-amine
PubChem CID116719624
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-(1-ethylpyrazol-4-yl)-2-methoxy-3-methylbutan-1-amine
SMILESCCn1cc(C(N)C(OC)C(C)C)cn1
InChIInChI=1S/C11H21N3O/c1-5-14-7-9(6-13-14)10(12)11(15-4)8(2)3/h6-8,10-11H,5,12H2,1-4H3
InChIKeyLIDPPQXSKJAPQZ-UHFFFAOYSA-N
XLogP1.57
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-4-yl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 116719917
2-methoxy-1-(1-propylpyrazol-4-yl)propan-1-amine
CID 79617281
2-ethyl-1-(1-ethylpyrazol-4-yl)-2-methoxybutan-1-amine
CID 116760473
[2-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butyl]hydrazine
CID 105272039
2-methoxy-3-methyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 116720667
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-amine
CID 114661186
1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole
CID 163865872
1-(1-ethylpyrazol-4-yl)-2-methoxy-2-methylbutan-1-amine
CID 116757269
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
3-(1-ethylpyrazol-4-yl)butan-1-amine
CID 81014220
4-amino-3-(1-ethylpyrazol-4-yl)pentan-1-ol
CID 103570897
3-ethoxy-1-(1-ethylpyrazol-4-yl)propan-1-amine
CID 105109341

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-methoxy-3-methylbutan-1-amine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-methoxy-3-methylbutan-1-amine (CID 116719624) is 1-(1-ethylpyrazol-4-yl)-2-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-2-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-2-methoxy-3-methylbutan-1-amine is CCn1cc(C(N)C(OC)C(C)C)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-2-methoxy-3-methylbutan-1-amine?
The InChIKey is LIDPPQXSKJAPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-14-7-9(6-13-14)10(12)11(15-4)8(2)3/h6-8,10-11H,5,12H2,1-4H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-2-methoxy-3-methylbutan-1-amine?
1-(1-ethylpyrazol-4-yl)-2-methoxy-3-methylbutan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-2-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 116719624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).