(2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-3-pyrazol-1-ylpropan-2-ol

C16H23N3O2S — CID 98723804

IUPAC(2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-3-pyrazol-1-ylpropan-2-ol
SMILESO[C@H](CN(Cc1cccs1)C[C@@H]1CCCO1)Cn1cccn1
InChIInChI=1S/C16H23N3O2S/c20-14(11-19-7-3-6-17-19)10-18(12-15-4-1-8-21-15)13-16-5-2-9-22-16/h2-3,5-7,9,14-15,20H,1,4,8,10-13H2/t14-,15+/m1/s1
InChIKeyCQGYLNQBQNXSED-CABCVRRESA-N
MW321.45 g/mol
LogP1.99
Rot. Bonds8

About (2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-3-pyrazol-1-ylpropan-2-ol

(2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 98723804) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is (2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID98723804
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name(2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-3-pyrazol-1-ylpropan-2-ol
SMILESO[C@H](CN(Cc1cccs1)C[C@@H]1CCCO1)Cn1cccn1
InChIInChI=1S/C16H23N3O2S/c20-14(11-19-7-3-6-17-19)10-18(12-15-4-1-8-21-15)13-16-5-2-9-22-16/h2-3,5-7,9,14-15,20H,1,4,8,10-13H2/t14-,15+/m1/s1
InChIKeyCQGYLNQBQNXSED-CABCVRRESA-N
XLogP1.99
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-3-pyrazol-1-ylpropan-2-ol with MolForge

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Related Compounds

1-[(2S)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)-N-(thiophen-2-ylmethyl)methanamine
CID 95904603
1-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-(4-phenylphenoxy)propan-2-ol
CID 18267024
N-(oxolan-2-ylmethyl)-4-(pyrazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 134051172
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 78807506
N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 97231150
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2R)-oxolan-2-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 94541380
[3-[[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]oxetan-3-yl]methanol
CID 111976537
1-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]imidazolidin-2-one
CID 9055527
N-(3-methyl-1,2-oxazol-5-yl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 18154491
2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 54869237
1-[(2S)-oxolan-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)methanamine
CID 39973516
2-[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]isoindole-1,3-dione
CID 8926032

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-3-pyrazol-1-ylpropan-2-ol (CID 98723804) is (2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-3-pyrazol-1-ylpropan-2-ol is O[C@H](CN(Cc1cccs1)C[C@@H]1CCCO1)Cn1cccn1.
What is the InChIKey of (2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is CQGYLNQBQNXSED-CABCVRRESA-N. The full InChI is InChI=1S/C16H23N3O2S/c20-14(11-19-7-3-6-17-19)10-18(12-15-4-1-8-21-15)13-16-5-2-9-22-16/h2-3,5-7,9,14-15,20H,1,4,8,10-13H2/t14-,15+/m1/s1.
What are the key properties of (2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-3-pyrazol-1-ylpropan-2-ol?
(2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 321.45 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 (2R)-1-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 98723804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).