4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]oxan-4-ol

C13H23N3O2 — CID 78928754

IUPAC4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]oxan-4-ol
SMILESCc1nn(C)c(C)c1CNCC1(O)CCOCC1
InChIInChI=1S/C13H23N3O2/c1-10-12(11(2)16(3)15-10)8-14-9-13(17)4-6-18-7-5-13/h14,17H,4-9H2,1-3H3
InChIKeyMVAROXDLAVSPDC-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.67
Rot. Bonds4

About 4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]oxan-4-ol

4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]oxan-4-ol (PubChem CID 78928754) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]oxan-4-ol
PubChem CID78928754
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]oxan-4-ol
SMILESCc1nn(C)c(C)c1CNCC1(O)CCOCC1
InChIInChI=1S/C13H23N3O2/c1-10-12(11(2)16(3)15-10)8-14-9-13(17)4-6-18-7-5-13/h14,17H,4-9H2,1-3H3
InChIKeyMVAROXDLAVSPDC-UHFFFAOYSA-N
XLogP0.67
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]oxan-4-ol
CID 138993196
4-[[(2,5-dimethylpyrazol-3-yl)methylamino]methyl]oxan-4-ol
CID 81130976
[1-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358694
4-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxan-4-ol
CID 81131016
N-[(4-hydroxyoxan-4-yl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 79039754
N-[(1-ethylcyclobutyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 103741167
1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cycloheptan-1-ol
CID 111425320
4-[[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]methyl]oxan-4-ol
CID 114950649
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 107267185
4-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxan-4-ol
CID 78928966
1-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 111104684
3-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 79236838

Frequently Asked Questions

What is the IUPAC name of 4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]oxan-4-ol (CID 78928754) is 4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]oxan-4-ol is Cc1nn(C)c(C)c1CNCC1(O)CCOCC1.
What is the InChIKey of 4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]oxan-4-ol?
The InChIKey is MVAROXDLAVSPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10-12(11(2)16(3)15-10)8-14-9-13(17)4-6-18-7-5-13/h14,17H,4-9H2,1-3H3.
What are the key properties of 4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]oxan-4-ol?
4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]oxan-4-ol has a molecular weight of 253.35 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 78928754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).