1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine

C12H21N3O2 — CID 113443313

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
SMILESCOC1(CNCc2cnn(C)c2C)CCOC1
InChIInChI=1S/C12H21N3O2/c1-10-11(7-14-15(10)2)6-13-8-12(16-3)4-5-17-9-12/h7,13H,4-6,8-9H2,1-3H3
InChIKeyFKWBWYNEKFSSJN-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.62
Rot. Bonds5

About 1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine

1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine (PubChem CID 113443313) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
PubChem CID113443313
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
SMILESCOC1(CNCc2cnn(C)c2C)CCOC1
InChIInChI=1S/C12H21N3O2/c1-10-11(7-14-15(10)2)6-13-8-12(16-3)4-5-17-9-12/h7,13H,4-6,8-9H2,1-3H3
InChIKeyFKWBWYNEKFSSJN-UHFFFAOYSA-N
XLogP0.62
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol
CID 113443332
1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704877
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 113450199
N-[(3-methoxyoxolan-3-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine
CID 107042678
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103438062
1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104760674
1-(3-chloro-2-fluorophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704871
4-amino-N-[(3-methoxyoxolan-3-yl)methyl]-1-methylpyrazole-5-carboxamide
CID 104758335
4-bromo-5-[(3-methoxyoxolan-3-yl)methylamino]-2-methylpyridazin-3-one
CID 104705523
N-[(3-methoxyoxolan-3-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 104704966
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104760798
1-(3,5-dimethyl-4-nitro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 103185852

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine (CID 113443313) is 1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine is COC1(CNCc2cnn(C)c2C)CCOC1.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The InChIKey is FKWBWYNEKFSSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10-11(7-14-15(10)2)6-13-8-12(16-3)4-5-17-9-12/h7,13H,4-6,8-9H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine has a molecular weight of 239.32 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine is sourced from PubChem (CID 113443313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).