2-(3-cyanophenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide

C16H16N4O2 — CID 126826596

IUPAC2-(3-cyanophenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide
SMILESN#Cc1cccc(CC(=O)N[C@@H]2CCO[C@H]2c2ccn[nH]2)c1
InChIInChI=1S/C16H16N4O2/c17-10-12-3-1-2-11(8-12)9-15(21)19-13-5-7-22-16(13)14-4-6-18-20-14/h1-4,6,8,13,16H,5,7,9H2,(H,18,20)(H,19,21)/t13-,16-/m1/s1
InChIKeyWGICQDDDBAIXJY-CZUORRHYSA-N
MW296.33 g/mol
LogP1.47
Rot. Bonds4

About 2-(3-cyanophenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide

2-(3-cyanophenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide (PubChem CID 126826596) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(3-cyanophenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-cyanophenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide
PubChem CID126826596
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-(3-cyanophenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide
SMILESN#Cc1cccc(CC(=O)N[C@@H]2CCO[C@H]2c2ccn[nH]2)c1
InChIInChI=1S/C16H16N4O2/c17-10-12-3-1-2-11(8-12)9-15(21)19-13-5-7-22-16(13)14-4-6-18-20-14/h1-4,6,8,13,16H,5,7,9H2,(H,18,20)(H,19,21)/t13-,16-/m1/s1
InChIKeyWGICQDDDBAIXJY-CZUORRHYSA-N
XLogP1.47
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide?
The IUPAC name of 2-(3-cyanophenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide (CID 126826596) is 2-(3-cyanophenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2-(3-cyanophenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide?
The canonical SMILES for 2-(3-cyanophenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide is N#Cc1cccc(CC(=O)N[C@@H]2CCO[C@H]2c2ccn[nH]2)c1.
What is the InChIKey of 2-(3-cyanophenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide?
The InChIKey is WGICQDDDBAIXJY-CZUORRHYSA-N. The full InChI is InChI=1S/C16H16N4O2/c17-10-12-3-1-2-11(8-12)9-15(21)19-13-5-7-22-16(13)14-4-6-18-20-14/h1-4,6,8,13,16H,5,7,9H2,(H,18,20)(H,19,21)/t13-,16-/m1/s1.
What are the key properties of 2-(3-cyanophenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide?
2-(3-cyanophenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide has a molecular weight of 296.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenyl)-N-[(2R,3R)-2-(1H-pyrazol-5-yl)oxolan-3-yl]acetamide is sourced from PubChem (CID 126826596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).