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

C11H21N3O — CID 103037028

IUPAC1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine
SMILESCOC(C)(C)CCn1cc(C(C)N)cn1
InChIInChI=1S/C11H21N3O/c1-9(12)10-7-13-14(8-10)6-5-11(2,3)15-4/h7-9H,5-6,12H2,1-4H3
InChIKeyVFHGCWNFYGDIGW-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.72
Rot. Bonds5

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

1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine (PubChem CID 103037028) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine
PubChem CID103037028
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine
SMILESCOC(C)(C)CCn1cc(C(C)N)cn1
InChIInChI=1S/C11H21N3O/c1-9(12)10-7-13-14(8-10)6-5-11(2,3)15-4/h7-9H,5-6,12H2,1-4H3
InChIKeyVFHGCWNFYGDIGW-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

1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-2-amine
CID 103037086
1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine;hydrochloride
CID 135377882
3-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 103024939
2-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine
CID 103037083
(1R)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine
CID 94575315
(1S)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine
CID 94575316
1-[1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]ethanamine
CID 103034988
4-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]aniline
CID 103033697
ethyl 1-(3-methoxy-3-methylbutyl)pyrazole-4-carboxylate
CID 103034259
1-[1-(2-methylpropyl)pyrazol-4-yl]ethanamine
CID 62729328
1-[1-(2-phenoxyethyl)pyrazol-4-yl]ethanamine
CID 114265871
4-(3-iodophenyl)-1-(3-methoxy-3-methylbutyl)pyrazole
CID 103019466

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine (CID 103037028) is 1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine is COC(C)(C)CCn1cc(C(C)N)cn1.
What is the InChIKey of 1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine?
The InChIKey is VFHGCWNFYGDIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(12)10-7-13-14(8-10)6-5-11(2,3)15-4/h7-9H,5-6,12H2,1-4H3.
What are the key properties of 1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine?
1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine 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-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 103037028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).