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

C13H23N3O2 — CID 103904913

IUPAC3-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol
SMILESCc1nn(C)c(C)c1C(C)NCC1(O)CCOC1
InChIInChI=1S/C13H23N3O2/c1-9(12-10(2)15-16(4)11(12)3)14-7-13(17)5-6-18-8-13/h9,14,17H,5-8H2,1-4H3
InChIKeyKCEUZFCUZPKMTB-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.84
Rot. Bonds4

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

3-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol (PubChem CID 103904913) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol
PubChem CID103904913
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol
SMILESCc1nn(C)c(C)c1C(C)NCC1(O)CCOC1
InChIInChI=1S/C13H23N3O2/c1-9(12-10(2)15-16(4)11(12)3)14-7-13(17)5-6-18-8-13/h9,14,17H,5-8H2,1-4H3
InChIKeyKCEUZFCUZPKMTB-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol (CID 103904913) is 3-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol is Cc1nn(C)c(C)c1C(C)NCC1(O)CCOC1.
What is the InChIKey of 3-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol?
The InChIKey is KCEUZFCUZPKMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(12-10(2)15-16(4)11(12)3)14-7-13(17)5-6-18-8-13/h9,14,17H,5-8H2,1-4H3.
What are the key properties of 3-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol?
3-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol has a molecular weight of 253.35 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 103904913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).