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

C14H25N3O2 — CID 81131016

IUPAC4-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxan-4-ol
SMILESCc1nn(C)c(C)c1C(C)NCC1(O)CCOCC1
InChIInChI=1S/C14H25N3O2/c1-10(13-11(2)16-17(4)12(13)3)15-9-14(18)5-7-19-8-6-14/h10,15,18H,5-9H2,1-4H3
InChIKeyITBDIWPUEQNPCC-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.23
Rot. Bonds4

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

4-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxan-4-ol (PubChem CID 81131016) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxan-4-ol
PubChem CID81131016
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxan-4-ol
SMILESCc1nn(C)c(C)c1C(C)NCC1(O)CCOCC1
InChIInChI=1S/C14H25N3O2/c1-10(13-11(2)16-17(4)12(13)3)15-9-14(18)5-7-19-8-6-14/h10,15,18H,5-9H2,1-4H3
InChIKeyITBDIWPUEQNPCC-UHFFFAOYSA-N
XLogP1.23
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol
CID 103904913
N-[(1-propylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 103903763
[1-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]cyclohexyl]methanol
CID 115892930
4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]oxan-4-ol
CID 78928754
4-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]oxan-4-ol
CID 106757942
1-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]cycloheptan-1-ol
CID 65123003
N-[(4-hydroxyoxan-4-yl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 79039754
4-[(propan-2-ylamino)methyl]oxepan-4-ol
CID 65080987
N-[(2,2-dimethylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 113348518
3-ethyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 103783108
2-chloro-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]prop-2-en-1-amine
CID 115891116
5-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 107270383

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxan-4-ol (CID 81131016) is 4-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxan-4-ol is Cc1nn(C)c(C)c1C(C)NCC1(O)CCOCC1.
What is the InChIKey of 4-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxan-4-ol?
The InChIKey is ITBDIWPUEQNPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(13-11(2)16-17(4)12(13)3)15-9-14(18)5-7-19-8-6-14/h10,15,18H,5-9H2,1-4H3.
What are the key properties of 4-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxan-4-ol?
4-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxan-4-ol has a molecular weight of 267.37 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxan-4-ol is sourced from PubChem (CID 81131016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).