N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-2-yl)methanamine

C12H21N3O — CID 79578829

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
SMILESCc1c(CNCC2CCCCO2)cnn1C
InChIInChI=1S/C12H21N3O/c1-10-11(8-14-15(10)2)7-13-9-12-5-3-4-6-16-12/h8,12-13H,3-7,9H2,1-2H3
InChIKeySPRXPSKIKIMJFX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.39
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-2-yl)methanamine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-2-yl)methanamine (PubChem CID 79578829) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
PubChem CID79578829
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
SMILESCc1c(CNCC2CCCCO2)cnn1C
InChIInChI=1S/C12H21N3O/c1-10-11(8-14-15(10)2)7-13-9-12-5-3-4-6-16-12/h8,12-13H,3-7,9H2,1-2H3
InChIKeySPRXPSKIKIMJFX-UHFFFAOYSA-N
XLogP1.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 79579425
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-3-yl)methanamine
CID 79579340
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine
CID 80584425
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-(oxan-2-yl)methanamine
CID 79605409
3-(1,5-dimethylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 35763072
ethyl 1-methyl-5-[(oxan-2-ylmethylamino)methyl]pyrazole-4-carboxylate
CID 116631011
N-[(1-methylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 42281898
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 43663218
1-(oxolan-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 43180702
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124932035
N-[(1,5-dimethylpyrazol-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 103851850
1-(1,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 79584440

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-2-yl)methanamine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-2-yl)methanamine (CID 79578829) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-2-yl)methanamine is Cc1c(CNCC2CCCCO2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-2-yl)methanamine?
The InChIKey is SPRXPSKIKIMJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-11(8-14-15(10)2)7-13-9-12-5-3-4-6-16-12/h8,12-13H,3-7,9H2,1-2H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-2-yl)methanamine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-2-yl)methanamine has a molecular weight of 223.32 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 79578829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).