1-(furan-2-ylmethoxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol

C13H19N3O3 — CID 61349089

IUPAC1-(furan-2-ylmethoxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCn1cc(CNCC(O)COCc2ccco2)cn1
InChIInChI=1S/C13H19N3O3/c1-16-8-11(6-15-16)5-14-7-12(17)9-18-10-13-3-2-4-19-13/h2-4,6,8,12,14,17H,5,7,9-10H2,1H3
InChIKeyXTANHLMZZTWKBU-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.68
Rot. Bonds8

About 1-(furan-2-ylmethoxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol

1-(furan-2-ylmethoxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol (PubChem CID 61349089) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(furan-2-ylmethoxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethoxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
PubChem CID61349089
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(furan-2-ylmethoxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCn1cc(CNCC(O)COCc2ccco2)cn1
InChIInChI=1S/C13H19N3O3/c1-16-8-11(6-15-16)5-14-7-12(17)9-18-10-13-3-2-4-19-13/h2-4,6,8,12,14,17H,5,7,9-10H2,1H3
InChIKeyXTANHLMZZTWKBU-UHFFFAOYSA-N
XLogP0.68
TPSA72.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(furan-2-ylmethoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol
CID 60633593
1-(furan-2-ylmethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 62848280
1-(furan-2-ylmethoxy)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol
CID 114186259
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol
CID 60649357
1-(furan-2-ylmethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 54914081
(2R)-3-[(1-methylpyrazol-4-yl)methylamino]propane-1,2-diol
CID 165487520
1-(4-methylpentan-2-yloxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349844
1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 60635601
1-(4-bromophenoxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349091
(2R)-1-(furan-2-ylmethoxy)-3-(prop-2-enylamino)propan-2-ol
CID 93381179
1-(2,2-dimethylhydrazinyl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 83014158

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethoxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(furan-2-ylmethoxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol (CID 61349089) is 1-(furan-2-ylmethoxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(furan-2-ylmethoxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(furan-2-ylmethoxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol is Cn1cc(CNCC(O)COCc2ccco2)cn1.
What is the InChIKey of 1-(furan-2-ylmethoxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol?
The InChIKey is XTANHLMZZTWKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-16-8-11(6-15-16)5-14-7-12(17)9-18-10-13-3-2-4-19-13/h2-4,6,8,12,14,17H,5,7,9-10H2,1H3.
What are the key properties of 1-(furan-2-ylmethoxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol?
1-(furan-2-ylmethoxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol has a molecular weight of 265.31 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethoxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 61349089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).