N-[(1-ethylpyrazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine

C12H23N3O — CID 65049198

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
SMILESCCn1cc(CNC(COC)C(C)C)cn1
InChIInChI=1S/C12H23N3O/c1-5-15-8-11(7-14-15)6-13-12(9-16-4)10(2)3/h7-8,10,12-13H,5-6,9H2,1-4H3
InChIKeyHTAANKHGBODBDG-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.66
Rot. Bonds7

About N-[(1-ethylpyrazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine

N-[(1-ethylpyrazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine (PubChem CID 65049198) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
PubChem CID65049198
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
SMILESCCn1cc(CNC(COC)C(C)C)cn1
InChIInChI=1S/C12H23N3O/c1-5-15-8-11(7-14-15)6-13-12(9-16-4)10(2)3/h7-8,10,12-13H,5-6,9H2,1-4H3
InChIKeyHTAANKHGBODBDG-UHFFFAOYSA-N
XLogP1.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65047705
N-[(1-ethylpyrazol-4-yl)methyl]-1,1-dimethoxypropan-2-amine
CID 103569367
methyl (2S)-2-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanoate
CID 94358808
1-ethoxy-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 103271036
2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
CID 115632221
1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylbutan-2-amine
CID 62125581
3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol
CID 78998031
N-[(1-ethylpyrazol-4-yl)methyl]-1,1,1-trifluoro-3,3-dimethoxypropan-2-amine
CID 162690406
1-ethyl-N-(1-methoxy-4-methylpentan-3-yl)pyrazol-4-amine
CID 115922676
(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 79253702
N-[(1-ethylpyrazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966858
1-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 19625638

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine (CID 65049198) is N-[(1-ethylpyrazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine is CCn1cc(CNC(COC)C(C)C)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine?
The InChIKey is HTAANKHGBODBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-15-8-11(7-14-15)6-13-12(9-16-4)10(2)3/h7-8,10,12-13H,5-6,9H2,1-4H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine?
N-[(1-ethylpyrazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 65049198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).