N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine

C12H21N3O2 — CID 124575654

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
SMILESCOc1c(CNC[C@@H]2CCCO2)c(C)nn1C
InChIInChI=1S/C12H21N3O2/c1-9-11(12(16-3)15(2)14-9)8-13-7-10-5-4-6-17-10/h10,13H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyPWUVEHNJNIVTJO-JTQLQIEISA-N
MW239.32 g/mol
LogP1.01
Rot. Bonds5

About N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine (PubChem CID 124575654) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
PubChem CID124575654
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
SMILESCOc1c(CNC[C@@H]2CCCO2)c(C)nn1C
InChIInChI=1S/C12H21N3O2/c1-9-11(12(16-3)15(2)14-9)8-13-7-10-5-4-6-17-10/h10,13H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyPWUVEHNJNIVTJO-JTQLQIEISA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxolan-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 43180702
N-(oxolan-2-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 63104701
1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82834331
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine
CID 115600691
3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 115600762
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115614969
1-[[(2R)-oxolan-2-yl]methyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 92750570
2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115600579
(1R)-1-cyclopentyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 104860862
1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 107234184
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 113229317
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 43663218

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine (CID 124575654) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine is COc1c(CNC[C@@H]2CCCO2)c(C)nn1C.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The InChIKey is PWUVEHNJNIVTJO-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9-11(12(16-3)15(2)14-9)8-13-7-10-5-4-6-17-10/h10,13H,4-8H2,1-3H3/t10-/m0/s1.
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine has a molecular weight of 239.32 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine is sourced from PubChem (CID 124575654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).