(2R)-1-[[3-(1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methylamino]propan-2-ol

C16H19N3O2 — CID 94801143

IUPAC(2R)-1-[[3-(1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methylamino]propan-2-ol
SMILESC[C@@H](O)CNCc1cn(C)nc1-c1cc2ccccc2o1
InChIInChI=1S/C16H19N3O2/c1-11(20)8-17-9-13-10-19(2)18-16(13)15-7-12-5-3-4-6-14(12)21-15/h3-7,10-11,17,20H,8-9H2,1-2H3/t11-/m1/s1
InChIKeyFODYHKNYAMOSPY-LLVKDONJSA-N
MW285.35 g/mol
LogP2.30
Rot. Bonds5

About (2R)-1-[[3-(1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methylamino]propan-2-ol

(2R)-1-[[3-(1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methylamino]propan-2-ol (PubChem CID 94801143) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (2R)-1-[[3-(1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[3-(1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methylamino]propan-2-ol
PubChem CID94801143
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(2R)-1-[[3-(1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methylamino]propan-2-ol
SMILESC[C@@H](O)CNCc1cn(C)nc1-c1cc2ccccc2o1
InChIInChI=1S/C16H19N3O2/c1-11(20)8-17-9-13-10-19(2)18-16(13)15-7-12-5-3-4-6-14(12)21-15/h3-7,10-11,17,20H,8-9H2,1-2H3/t11-/m1/s1
InChIKeyFODYHKNYAMOSPY-LLVKDONJSA-N
XLogP2.30
TPSA63.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[[3-(1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methylamino]propan-2-ol with MolForge

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Related Compounds

(2S)-1-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]propan-2-ol
CID 94871645
4-[[3-(1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methylamino]cyclohexan-1-ol;hydrochloride
CID 47610401
(6S)-N-[[3-(1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291269
N-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-(4-methylsulfonylphenyl)ethanamine
CID 112800105
1-[[3-(1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methyl]-4-(trifluoromethyl)azepan-4-ol
CID 126813459
3-(1-benzofuran-2-yl)-1-pentan-3-ylpyrazol-4-amine
CID 83218503
N-[[3-(5-bromo-1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 79491354
4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 111469660
N-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62921982
N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79492888
N-[[3-(2-chloro-4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79493394
(1R)-1-(1-benzofuran-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 124613497

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[3-(1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methylamino]propan-2-ol?
The IUPAC name of (2R)-1-[[3-(1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methylamino]propan-2-ol (CID 94801143) is (2R)-1-[[3-(1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[3-(1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[[3-(1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methylamino]propan-2-ol is C[C@@H](O)CNCc1cn(C)nc1-c1cc2ccccc2o1.
What is the InChIKey of (2R)-1-[[3-(1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methylamino]propan-2-ol?
The InChIKey is FODYHKNYAMOSPY-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(20)8-17-9-13-10-19(2)18-16(13)15-7-12-5-3-4-6-14(12)21-15/h3-7,10-11,17,20H,8-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-1-[[3-(1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methylamino]propan-2-ol?
(2R)-1-[[3-(1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methylamino]propan-2-ol has a molecular weight of 285.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[3-(1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methylamino]propan-2-ol is sourced from PubChem (CID 94801143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).