1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(oxolan-3-ylmethyl)amino]propan-2-ol

C18H27N3O3 — CID 43818314

IUPAC1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(oxolan-3-ylmethyl)amino]propan-2-ol
SMILESCc1cc(C)n(CC(O)CN(Cc2ccco2)CC2CCOC2)n1
InChIInChI=1S/C18H27N3O3/c1-14-8-15(2)21(19-14)11-17(22)10-20(9-16-5-7-23-13-16)12-18-4-3-6-24-18/h3-4,6,8,16-17,22H,5,7,9-13H2,1-2H3
InChIKeyLZULHHBFWZBZPT-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.99
Rot. Bonds8

About 1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(oxolan-3-ylmethyl)amino]propan-2-ol

1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(oxolan-3-ylmethyl)amino]propan-2-ol (PubChem CID 43818314) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(oxolan-3-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(oxolan-3-ylmethyl)amino]propan-2-ol
PubChem CID43818314
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(oxolan-3-ylmethyl)amino]propan-2-ol
SMILESCc1cc(C)n(CC(O)CN(Cc2ccco2)CC2CCOC2)n1
InChIInChI=1S/C18H27N3O3/c1-14-8-15(2)21(19-14)11-17(22)10-20(9-16-5-7-23-13-16)12-18-4-3-6-24-18/h3-4,6,8,16-17,22H,5,7,9-13H2,1-2H3
InChIKeyLZULHHBFWZBZPT-UHFFFAOYSA-N
XLogP1.99
TPSA63.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(oxolan-3-ylmethyl)amino]propan-2-ol with MolForge

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Related Compounds

(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]propan-2-ol
CID 51495619
1-[1H-benzimidazol-2-ylmethyl(furan-2-ylmethyl)amino]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 46962152
1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(quinolin-8-ylmethyl)amino]propan-2-ol
CID 43818313
1-(3,5-dimethylpyrazol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol
CID 3157338
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(furan-2-ylmethyl)-1-(oxolan-3-yl)methanamine
CID 43818363
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 95283465
N-benzyl-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide
CID 42796160
1-[ethyl(furan-2-ylmethyl)amino]butan-2-ol
CID 61423764
N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 43818351
1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol
CID 112561353
2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)-N-[(4-phenylphenyl)methyl]pyrazole-3-carboxamide
CID 42796190
1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]pentan-2-ol
CID 24713749

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(oxolan-3-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(oxolan-3-ylmethyl)amino]propan-2-ol (CID 43818314) is 1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(oxolan-3-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(oxolan-3-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(oxolan-3-ylmethyl)amino]propan-2-ol is Cc1cc(C)n(CC(O)CN(Cc2ccco2)CC2CCOC2)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(oxolan-3-ylmethyl)amino]propan-2-ol?
The InChIKey is LZULHHBFWZBZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-14-8-15(2)21(19-14)11-17(22)10-20(9-16-5-7-23-13-16)12-18-4-3-6-24-18/h3-4,6,8,16-17,22H,5,7,9-13H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(oxolan-3-ylmethyl)amino]propan-2-ol?
1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(oxolan-3-ylmethyl)amino]propan-2-ol has a molecular weight of 333.43 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(oxolan-3-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 43818314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).