1-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine

C11H21N3O — CID 43180580

IUPAC1-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
SMILESCOCC(C)NCc1c(C)nn(C)c1C
InChIInChI=1S/C11H21N3O/c1-8(7-15-5)12-6-11-9(2)13-14(4)10(11)3/h8,12H,6-7H2,1-5H3
InChIKeyGDPUISLANPSVKY-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.16
Rot. Bonds5

About 1-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine

1-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine (PubChem CID 43180580) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
PubChem CID43180580
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
SMILESCOCC(C)NCc1c(C)nn(C)c1C
InChIInChI=1S/C11H21N3O/c1-8(7-15-5)12-6-11-9(2)13-14(4)10(11)3/h8,12H,6-7H2,1-5H3
InChIKeyGDPUISLANPSVKY-UHFFFAOYSA-N
XLogP1.16
TPSA39.08 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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanoic acid
CID 79236312
3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 79254884
1-(4-bromophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
CID 43695533
4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentan-1-ol
CID 61246554
N-[[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 60925347
3-propan-2-yloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 28727158
4-(3-methylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine
CID 79230814
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
1-(4-bromophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 60663985
4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pentan-2-ol
CID 113381760
N'-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 113410291
(1R,3S)-1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 97249768

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine (CID 43180580) is 1-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine is COCC(C)NCc1c(C)nn(C)c1C.
What is the InChIKey of 1-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is GDPUISLANPSVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(7-15-5)12-6-11-9(2)13-14(4)10(11)3/h8,12H,6-7H2,1-5H3.
What are the key properties of 1-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
1-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 43180580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).