2-(5-fluoro-2-methylphenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide

C16H20FN3O — CID 56751380

IUPAC2-(5-fluoro-2-methylphenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide
SMILESCc1cc(CC(C)NC(=O)Cc2cc(F)ccc2C)n[nH]1
InChIInChI=1S/C16H20FN3O/c1-10-4-5-14(17)8-13(10)9-16(21)18-11(2)6-15-7-12(3)19-20-15/h4-5,7-8,11H,6,9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyMNONKDCQCIAXHM-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.46
Rot. Bonds5

About 2-(5-fluoro-2-methylphenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide

2-(5-fluoro-2-methylphenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide (PubChem CID 56751380) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide
PubChem CID56751380
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name2-(5-fluoro-2-methylphenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide
SMILESCc1cc(CC(C)NC(=O)Cc2cc(F)ccc2C)n[nH]1
InChIInChI=1S/C16H20FN3O/c1-10-4-5-14(17)8-13(10)9-16(21)18-11(2)6-15-7-12(3)19-20-15/h4-5,7-8,11H,6,9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyMNONKDCQCIAXHM-UHFFFAOYSA-N
XLogP2.46
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide (CID 56751380) is 2-(5-fluoro-2-methylphenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide is Cc1cc(CC(C)NC(=O)Cc2cc(F)ccc2C)n[nH]1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide?
The InChIKey is MNONKDCQCIAXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-10-4-5-14(17)8-13(10)9-16(21)18-11(2)6-15-7-12(3)19-20-15/h4-5,7-8,11H,6,9H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 2-(5-fluoro-2-methylphenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide?
2-(5-fluoro-2-methylphenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide has a molecular weight of 289.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide is sourced from PubChem (CID 56751380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).