2-(2-fluorophenyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide

C15H16FN3O2 — CID 97428150

IUPAC2-(2-fluorophenyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide
SMILESO=C(Cc1ccccc1F)Nc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C15H16FN3O2/c16-14-4-2-1-3-11(14)7-15(20)18-12-8-17-19(9-12)13-5-6-21-10-13/h1-4,8-9,13H,5-7,10H2,(H,18,20)/t13-/m0/s1
InChIKeyHYUYLPZRSGGCRS-ZDUSSCGKSA-N
MW289.31 g/mol
LogP2.16
Rot. Bonds4

About 2-(2-fluorophenyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide

2-(2-fluorophenyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide (PubChem CID 97428150) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide
PubChem CID97428150
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name2-(2-fluorophenyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide
SMILESO=C(Cc1ccccc1F)Nc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C15H16FN3O2/c16-14-4-2-1-3-11(14)7-15(20)18-12-8-17-19(9-12)13-5-6-21-10-13/h1-4,8-9,13H,5-7,10H2,(H,18,20)/t13-/m0/s1
InChIKeyHYUYLPZRSGGCRS-ZDUSSCGKSA-N
XLogP2.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide (CID 97428150) is 2-(2-fluorophenyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide is O=C(Cc1ccccc1F)Nc1cnn([C@H]2CCOC2)c1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide?
The InChIKey is HYUYLPZRSGGCRS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-14-4-2-1-3-11(14)7-15(20)18-12-8-17-19(9-12)13-5-6-21-10-13/h1-4,8-9,13H,5-7,10H2,(H,18,20)/t13-/m0/s1.
What are the key properties of 2-(2-fluorophenyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide?
2-(2-fluorophenyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide has a molecular weight of 289.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 97428150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).