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

C12H21N3O — CID 79579340

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-3-yl)methanamine
SMILESCc1c(CNCC2CCCOC2)cnn1C
InChIInChI=1S/C12H21N3O/c1-10-12(8-14-15(10)2)7-13-6-11-4-3-5-16-9-11/h8,11,13H,3-7,9H2,1-2H3
InChIKeyQTTJXABPVOPREM-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.24
Rot. Bonds4

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-3-yl)methanamine (PubChem CID 79579340) 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-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-3-yl)methanamine
PubChem CID79579340
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-3-yl)methanamine
SMILESCc1c(CNCC2CCCOC2)cnn1C
InChIInChI=1S/C12H21N3O/c1-10-12(8-14-15(10)2)7-13-6-11-4-3-5-16-9-11/h8,11,13H,3-7,9H2,1-2H3
InChIKeyQTTJXABPVOPREM-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
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)-2-(oxan-3-yl)acetamide
CID 134702628
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
CID 79578829
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(oxan-3-yl)methanamine
CID 61020728
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine
CID 80584425
1,5-dimethyl-N-(oxolan-3-ylmethyl)pyrazol-4-amine
CID 115899682
N-[(1-methylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine
CID 78921663
1-(oxan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 103660129
2-(1-methylpyrazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 80682621
3-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 115767982
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-4-ylethanamine
CID 79578789

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-3-yl)methanamine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-3-yl)methanamine (CID 79579340) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-3-yl)methanamine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-3-yl)methanamine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-3-yl)methanamine is Cc1c(CNCC2CCCOC2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-3-yl)methanamine?
The InChIKey is QTTJXABPVOPREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-12(8-14-15(10)2)7-13-6-11-4-3-5-16-9-11/h8,11,13H,3-7,9H2,1-2H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-3-yl)methanamine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-3-yl)methanamine has a molecular weight of 223.32 g/mol, XLogP of 1.24, 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-3-yl)methanamine is sourced from PubChem (CID 79579340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).