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

C11H21N3O — CID 103024967

IUPAC1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine
SMILESCCn1cc(C(N)CC(C)(C)OC)cn1
InChIInChI=1S/C11H21N3O/c1-5-14-8-9(7-13-14)10(12)6-11(2,3)15-4/h7-8,10H,5-6,12H2,1-4H3
InChIKeyPHASHIXZHLTGDO-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.72
Rot. Bonds5

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

1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine (PubChem CID 103024967) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine
PubChem CID103024967
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine
SMILESCCn1cc(C(N)CC(C)(C)OC)cn1
InChIInChI=1S/C11H21N3O/c1-5-14-8-9(7-13-14)10(12)6-11(2,3)15-4/h7-8,10H,5-6,12H2,1-4H3
InChIKeyPHASHIXZHLTGDO-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-((1-methyl-1H-pyrazol-4-yl)methyl)propan-1-ol dihydrochloride
CID 91662899
4-(1-methyl-1H-pyrazol-4-yl)butan-2-amine
CID 62127805
2-amino-3-(1-methyl-1H-pyrazol-4-yl)propan-1-ol dihydrochloride
CID 121553570
rac-4-[(3R,4S)-4-(methoxymethyl)pyrrolidin-3-yl]-1-methyl-1H-pyrazole dihydrochloride
CID 122155814
1-(1-ethyl-1H-pyrazol-4-yl)propan-1-amine
CID 23005819
3-Amino-2-[(1-methyl-1H-pyrazol-4-yl)methyl]propan-1-ol
CID 43199852
2-amino-3-(1-methyl-1H-pyrazol-4-yl)propan-1-ol
CID 55254473
{1-[amino(1-methyl-1H-pyrazol-4-yl)methyl]cyclobutyl}methanol
CID 119053274
4-(3-Methoxypropyl)-1-(2,2,2-trifluoroethyl)pyrazole
CID 168907610
N-ethyl-1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine
CID 103024968
1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103024969
4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 103024991

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine (CID 103024967) is 1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine is CCn1cc(C(N)CC(C)(C)OC)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine?
The InChIKey is PHASHIXZHLTGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-14-8-9(7-13-14)10(12)6-11(2,3)15-4/h7-8,10H,5-6,12H2,1-4H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine?
1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 1.72, 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)-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 103024967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).