2-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine

C11H21N3O — CID 103037083

IUPAC2-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine
SMILESCOC(C)(C)CCn1cc(CCN)cn1
InChIInChI=1S/C11H21N3O/c1-11(2,15-3)5-7-14-9-10(4-6-12)8-13-14/h8-9H,4-7,12H2,1-3H3
InChIKeyIMSIFCAAMGUVOW-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.20
Rot. Bonds6

About 2-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine

2-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine (PubChem CID 103037083) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine
PubChem CID103037083
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine
SMILESCOC(C)(C)CCn1cc(CCN)cn1
InChIInChI=1S/C11H21N3O/c1-11(2,15-3)5-7-14-9-10(4-6-12)8-13-14/h8-9H,4-7,12H2,1-3H3
InChIKeyIMSIFCAAMGUVOW-UHFFFAOYSA-N
XLogP1.20
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-2-amine
CID 103037086
1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine
CID 103037028
4-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]aniline
CID 103033697
2-[1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine
CID 106730698
ethyl 1-(3-methoxy-3-methylbutyl)pyrazole-4-carboxylate
CID 103034259
2-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanamine
CID 104567009
2-methoxy-2-methyl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115656313
4-(3-iodophenyl)-1-(3-methoxy-3-methylbutyl)pyrazole
CID 103019466
N-[[1-(3,3-dimethylbutyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 62729779
2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanamine
CID 62729673
4-chloro-1-(3-methoxy-3-methylbutyl)pyrazol-3-amine
CID 103033703
[1-(1-ethylpyrazol-4-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025218

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine (CID 103037083) is 2-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine is COC(C)(C)CCn1cc(CCN)cn1.
What is the InChIKey of 2-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine?
The InChIKey is IMSIFCAAMGUVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-11(2,15-3)5-7-14-9-10(4-6-12)8-13-14/h8-9H,4-7,12H2,1-3H3.
What are the key properties of 2-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine?
2-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine has a molecular weight of 211.31 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 103037083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).