3-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-2-methyloxolan-3-ol

C13H23N3O2 — CID 107270802

IUPAC3-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-2-methyloxolan-3-ol
SMILESCc1nn(C)cc1C(C)NCC1(O)CCOC1C
InChIInChI=1S/C13H23N3O2/c1-9(12-7-16(4)15-10(12)2)14-8-13(17)5-6-18-11(13)3/h7,9,11,14,17H,5-6,8H2,1-4H3
InChIKeySBMUCHGLYFUVHN-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.92
Rot. Bonds4

About 3-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-2-methyloxolan-3-ol

3-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-2-methyloxolan-3-ol (PubChem CID 107270802) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-2-methyloxolan-3-ol
PubChem CID107270802
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-2-methyloxolan-3-ol
SMILESCc1nn(C)cc1C(C)NCC1(O)CCOC1C
InChIInChI=1S/C13H23N3O2/c1-9(12-7-16(4)15-10(12)2)14-8-13(17)5-6-18-11(13)3/h7,9,11,14,17H,5-6,8H2,1-4H3
InChIKeySBMUCHGLYFUVHN-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 65197436
2-methyl-3-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol
CID 107270667
3-[[1-(2-chlorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270611
3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270892
2-methyl-3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]oxolan-3-ol
CID 107270585
1-(1,3-dimethylpyrazol-4-yl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 65197124
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylprop-2-en-1-amine
CID 115903248
1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-ol
CID 65197340
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol
CID 106841146
(2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol
CID 103906693
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroethanamine
CID 65192198
N-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65191855

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-2-methyloxolan-3-ol (CID 107270802) is 3-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-2-methyloxolan-3-ol is Cc1nn(C)cc1C(C)NCC1(O)CCOC1C.
What is the InChIKey of 3-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-2-methyloxolan-3-ol?
The InChIKey is SBMUCHGLYFUVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(12-7-16(4)15-10(12)2)14-8-13(17)5-6-18-11(13)3/h7,9,11,14,17H,5-6,8H2,1-4H3.
What are the key properties of 3-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-2-methyloxolan-3-ol?
3-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]-2-methyloxolan-3-ol has a molecular weight of 253.35 g/mol, XLogP of 0.92, 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-dimethylpyrazol-4-yl)ethylamino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 107270802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).