1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine

C13H21N3O — CID 124516182

IUPAC1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(C)c(C)c1CNC[C@@H]1CCC=CO1
InChIInChI=1S/C13H21N3O/c1-10-13(11(2)16(3)15-10)9-14-8-12-6-4-5-7-17-12/h5,7,12,14H,4,6,8-9H2,1-3H3/t12-/m0/s1
InChIKeySPEVVSBGFRIGHV-LBPRGKRZSA-N
MW235.33 g/mol
LogP1.82
Rot. Bonds4

About 1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine

1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine (PubChem CID 124516182) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
PubChem CID124516182
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(C)c(C)c1CNC[C@@H]1CCC=CO1
InChIInChI=1S/C13H21N3O/c1-10-13(11(2)16(3)15-10)9-14-8-12-6-4-5-7-17-12/h5,7,12,14H,4,6,8-9H2,1-3H3/t12-/m0/s1
InChIKeySPEVVSBGFRIGHV-LBPRGKRZSA-N
XLogP1.82
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

1-[(2R)-3,4-dihydro-2H-pyran-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 124516183
1-(oxolan-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 43180702
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 61013259
1-(4-ethylmorpholin-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 78946770
1-piperidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 106634107
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 113246429
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanamine
CID 62064595
1-pyridin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 28670467
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 55030405
2-cyclohexyloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 55220028
N-(oxolan-2-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 63104701
1-(4-bromothiophen-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 60957957

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine (CID 124516182) is 1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine is Cc1nn(C)c(C)c1CNC[C@@H]1CCC=CO1.
What is the InChIKey of 1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The InChIKey is SPEVVSBGFRIGHV-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-13(11(2)16(3)15-10)9-14-8-12-6-4-5-7-17-12/h5,7,12,14H,4,6,8-9H2,1-3H3/t12-/m0/s1.
What are the key properties of 1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 124516182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).