(2S)-1-[(3-methylthiophen-2-yl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]propan-2-ol

C19H23N3OS — CID 51495185

IUPAC(2S)-1-[(3-methylthiophen-2-yl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]propan-2-ol
SMILESCc1ccsc1CN(Cc1cn[nH]c1-c1ccccc1)C[C@H](C)O
InChIInChI=1S/C19H23N3OS/c1-14-8-9-24-18(14)13-22(11-15(2)23)12-17-10-20-21-19(17)16-6-4-3-5-7-16/h3-10,15,23H,11-13H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyWZIVICRJRAVLEV-HNNXBMFYSA-N
MW341.48 g/mol
LogP3.83
Rot. Bonds7

About (2S)-1-[(3-methylthiophen-2-yl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]propan-2-ol

(2S)-1-[(3-methylthiophen-2-yl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]propan-2-ol (PubChem CID 51495185) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is (2S)-1-[(3-methylthiophen-2-yl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(3-methylthiophen-2-yl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]propan-2-ol
PubChem CID51495185
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name(2S)-1-[(3-methylthiophen-2-yl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]propan-2-ol
SMILESCc1ccsc1CN(Cc1cn[nH]c1-c1ccccc1)C[C@H](C)O
InChIInChI=1S/C19H23N3OS/c1-14-8-9-24-18(14)13-22(11-15(2)23)12-17-10-20-21-19(17)16-6-4-3-5-7-16/h3-10,15,23H,11-13H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyWZIVICRJRAVLEV-HNNXBMFYSA-N
XLogP3.83
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3-methylthiophen-2-yl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[(3-methylthiophen-2-yl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]propan-2-ol (CID 51495185) is (2S)-1-[(3-methylthiophen-2-yl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(3-methylthiophen-2-yl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[(3-methylthiophen-2-yl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]propan-2-ol is Cc1ccsc1CN(Cc1cn[nH]c1-c1ccccc1)C[C@H](C)O.
What is the InChIKey of (2S)-1-[(3-methylthiophen-2-yl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]propan-2-ol?
The InChIKey is WZIVICRJRAVLEV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-14-8-9-24-18(14)13-22(11-15(2)23)12-17-10-20-21-19(17)16-6-4-3-5-7-16/h3-10,15,23H,11-13H2,1-2H3,(H,20,21)/t15-/m0/s1.
What are the key properties of (2S)-1-[(3-methylthiophen-2-yl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]propan-2-ol?
(2S)-1-[(3-methylthiophen-2-yl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]propan-2-ol has a molecular weight of 341.48 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3-methylthiophen-2-yl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 51495185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).