(2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide

C23H25N3O3 — CID 128971293

IUPAC(2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
SMILESCN(Cc1ccc(O)cc1)C(=O)[C@H]1CCO[C@@H]1c1ccnn1Cc1ccccc1
InChIInChI=1S/C23H25N3O3/c1-25(15-18-7-9-19(27)10-8-18)23(28)20-12-14-29-22(20)21-11-13-24-26(21)16-17-5-3-2-4-6-17/h2-11,13,20,22,27H,12,14-16H2,1H3/t20-,22-/m0/s1
InChIKeyYBSKLDGVZVFJNQ-UNMCSNQZSA-N
MW391.47 g/mol
LogP3.37
Rot. Bonds6

About (2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide

(2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide (PubChem CID 128971293) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
PubChem CID128971293
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
SMILESCN(Cc1ccc(O)cc1)C(=O)[C@H]1CCO[C@@H]1c1ccnn1Cc1ccccc1
InChIInChI=1S/C23H25N3O3/c1-25(15-18-7-9-19(27)10-8-18)23(28)20-12-14-29-22(20)21-11-13-24-26(21)16-17-5-3-2-4-6-17/h2-11,13,20,22,27H,12,14-16H2,1H3/t20-,22-/m0/s1
InChIKeyYBSKLDGVZVFJNQ-UNMCSNQZSA-N
XLogP3.37
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide (CID 128971293) is (2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide is CN(Cc1ccc(O)cc1)C(=O)[C@H]1CCO[C@@H]1c1ccnn1Cc1ccccc1.
What is the InChIKey of (2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide?
The InChIKey is YBSKLDGVZVFJNQ-UNMCSNQZSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-25(15-18-7-9-19(27)10-8-18)23(28)20-12-14-29-22(20)21-11-13-24-26(21)16-17-5-3-2-4-6-17/h2-11,13,20,22,27H,12,14-16H2,1H3/t20-,22-/m0/s1.
What are the key properties of (2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide?
(2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(2-benzylpyrazol-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 128971293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).