(2S)-1-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]propan-2-ol

C21H21N3O2 — CID 94871645

IUPAC(2S)-1-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]propan-2-ol
SMILESC[C@H](O)CNCc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1
InChIInChI=1S/C21H21N3O2/c1-15(25)12-22-13-17-14-24(18-8-3-2-4-9-18)23-21(17)20-11-16-7-5-6-10-19(16)26-20/h2-11,14-15,22,25H,12-13H2,1H3/t15-/m0/s1
InChIKeyMZFZEDVZBFLWHH-HNNXBMFYSA-N
MW347.42 g/mol
LogP3.76
Rot. Bonds6

About (2S)-1-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]propan-2-ol

(2S)-1-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]propan-2-ol (PubChem CID 94871645) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is (2S)-1-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]propan-2-ol
PubChem CID94871645
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name(2S)-1-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]propan-2-ol
SMILESC[C@H](O)CNCc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1
InChIInChI=1S/C21H21N3O2/c1-15(25)12-22-13-17-14-24(18-8-3-2-4-9-18)23-21(17)20-11-16-7-5-6-10-19(16)26-20/h2-11,14-15,22,25H,12-13H2,1H3/t15-/m0/s1
InChIKeyMZFZEDVZBFLWHH-HNNXBMFYSA-N
XLogP3.76
TPSA63.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2R)-1-[[3-(1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methylamino]propan-2-ol
CID 94801143
N-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-(4-methylsulfonylphenyl)ethanamine
CID 112800105
4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]benzenesulfonamide
CID 100708342
3-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylazaniumyl]propyl-dimethylazanium
CID 8024834
N-(4-acetylphenyl)-3-(1-benzofuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 2140158
1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol
CID 111118849
N-(2-acetamidoethyl)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 76857055
2-anilino-N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide
CID 6310712
[4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844475
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate
CID 3297876
4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid;hydrochloride
CID 2951335
2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]propan-1-ol
CID 110905987

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]propan-2-ol (CID 94871645) is (2S)-1-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]propan-2-ol is C[C@H](O)CNCc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1.
What is the InChIKey of (2S)-1-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]propan-2-ol?
The InChIKey is MZFZEDVZBFLWHH-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15(25)12-22-13-17-14-24(18-8-3-2-4-9-18)23-21(17)20-11-16-7-5-6-10-19(16)26-20/h2-11,14-15,22,25H,12-13H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-1-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]propan-2-ol?
(2S)-1-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]propan-2-ol has a molecular weight of 347.42 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]propan-2-ol is sourced from PubChem (CID 94871645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).