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

C15H18FN3O2 — CID 91771633

IUPAC2-(4-fluorophenyl)-2-hydroxy-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide
SMILESCn1cc(CCCNC(=O)C(O)c2ccc(F)cc2)cn1
InChIInChI=1S/C15H18FN3O2/c1-19-10-11(9-18-19)3-2-8-17-15(21)14(20)12-4-6-13(16)7-5-12/h4-7,9-10,14,20H,2-3,8H2,1H3,(H,17,21)
InChIKeyVMQPDRLMKGLOSD-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.34
Rot. Bonds6

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

2-(4-fluorophenyl)-2-hydroxy-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide (PubChem CID 91771633) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-hydroxy-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-hydroxy-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide
PubChem CID91771633
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name2-(4-fluorophenyl)-2-hydroxy-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide
SMILESCn1cc(CCCNC(=O)C(O)c2ccc(F)cc2)cn1
InChIInChI=1S/C15H18FN3O2/c1-19-10-11(9-18-19)3-2-8-17-15(21)14(20)12-4-6-13(16)7-5-12/h4-7,9-10,14,20H,2-3,8H2,1H3,(H,17,21)
InChIKeyVMQPDRLMKGLOSD-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
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-(4-fluorophenyl)-2-hydroxy-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-2-hydroxy-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide (CID 91771633) is 2-(4-fluorophenyl)-2-hydroxy-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-2-hydroxy-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-2-hydroxy-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide is Cn1cc(CCCNC(=O)C(O)c2ccc(F)cc2)cn1.
What is the InChIKey of 2-(4-fluorophenyl)-2-hydroxy-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide?
The InChIKey is VMQPDRLMKGLOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-19-10-11(9-18-19)3-2-8-17-15(21)14(20)12-4-6-13(16)7-5-12/h4-7,9-10,14,20H,2-3,8H2,1H3,(H,17,21).
What are the key properties of 2-(4-fluorophenyl)-2-hydroxy-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide?
2-(4-fluorophenyl)-2-hydroxy-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide has a molecular weight of 291.33 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-hydroxy-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide is sourced from PubChem (CID 91771633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).