2-(3-fluorophenyl)-2-hydroxy-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide

C15H18FN3O2 — CID 91791417

IUPAC2-(3-fluorophenyl)-2-hydroxy-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
SMILESCc1cnn(CCCNC(=O)C(O)c2cccc(F)c2)c1
InChIInChI=1S/C15H18FN3O2/c1-11-9-18-19(10-11)7-3-6-17-15(21)14(20)12-4-2-5-13(16)8-12/h2,4-5,8-10,14,20H,3,6-7H2,1H3,(H,17,21)
InChIKeyFXJZKYCJYPWIET-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.57
Rot. Bonds6

About 2-(3-fluorophenyl)-2-hydroxy-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide

2-(3-fluorophenyl)-2-hydroxy-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide (PubChem CID 91791417) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-hydroxy-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-hydroxy-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
PubChem CID91791417
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name2-(3-fluorophenyl)-2-hydroxy-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
SMILESCc1cnn(CCCNC(=O)C(O)c2cccc(F)c2)c1
InChIInChI=1S/C15H18FN3O2/c1-11-9-18-19(10-11)7-3-6-17-15(21)14(20)12-4-2-5-13(16)8-12/h2,4-5,8-10,14,20H,3,6-7H2,1H3,(H,17,21)
InChIKeyFXJZKYCJYPWIET-UHFFFAOYSA-N
XLogP1.57
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-hydroxy-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-2-hydroxy-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide (CID 91791417) is 2-(3-fluorophenyl)-2-hydroxy-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-2-hydroxy-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-2-hydroxy-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide is Cc1cnn(CCCNC(=O)C(O)c2cccc(F)c2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-hydroxy-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide?
The InChIKey is FXJZKYCJYPWIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-11-9-18-19(10-11)7-3-6-17-15(21)14(20)12-4-2-5-13(16)8-12/h2,4-5,8-10,14,20H,3,6-7H2,1H3,(H,17,21).
What are the key properties of 2-(3-fluorophenyl)-2-hydroxy-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide?
2-(3-fluorophenyl)-2-hydroxy-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide has a molecular weight of 291.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-hydroxy-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide is sourced from PubChem (CID 91791417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).