2-[4-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

C17H23N3O2 — CID 95582527

IUPAC2-[4-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNC[C@H]1Cc2ccccc2O1
InChIInChI=1S/C17H23N3O2/c1-12-16(13(2)20(19-12)7-8-21)11-18-10-15-9-14-5-3-4-6-17(14)22-15/h3-6,15,18,21H,7-11H2,1-2H3/t15-/m1/s1
InChIKeyUCBQMRVJWNXOTG-OAHLLOKOSA-N
MW301.39 g/mol
LogP1.59
Rot. Bonds6

About 2-[4-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

2-[4-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (PubChem CID 95582527) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[4-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
PubChem CID95582527
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[4-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNC[C@H]1Cc2ccccc2O1
InChIInChI=1S/C17H23N3O2/c1-12-16(13(2)20(19-12)7-8-21)11-18-10-15-9-14-5-3-4-6-17(14)22-15/h3-6,15,18,21H,7-11H2,1-2H3/t15-/m1/s1
InChIKeyUCBQMRVJWNXOTG-OAHLLOKOSA-N
XLogP1.59
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol with MolForge

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Related Compounds

2-[3,5-dimethyl-4-[[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methylamino]methyl]pyrazol-1-yl]ethanol
CID 95582557
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 54895787
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106371585
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
2-[4-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110905596
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CID 111949639
2-[4-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 47615988
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CID 97199193
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CID 95733883
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
2-[4-[[(2-cyclopentyloxy-3-pyridinyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 47615834
1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (CID 95582527) is 2-[4-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNC[C@H]1Cc2ccccc2O1.
What is the InChIKey of 2-[4-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The InChIKey is UCBQMRVJWNXOTG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-16(13(2)20(19-12)7-8-21)11-18-10-15-9-14-5-3-4-6-17(14)22-15/h3-6,15,18,21H,7-11H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-[4-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
2-[4-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol has a molecular weight of 301.39 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 95582527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).