3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide

C20H21FN4O2 — CID 3235780

IUPAC3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide
SMILESCC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)Nc2cc(C)[nH]n2)c1C
InChIInChI=1S/C20H21FN4O2/c1-12-10-19(24-23-12)22-20(27)8-9-25-13(2)17(14(3)26)11-18(25)15-4-6-16(21)7-5-15/h4-7,10-11H,8-9H2,1-3H3,(H2,22,23,24,27)
InChIKeyHGWKDKCWAVMXTG-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.87
Rot. Bonds6

About 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide

3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide (PubChem CID 3235780) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide
PubChem CID3235780
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide
SMILESCC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)Nc2cc(C)[nH]n2)c1C
InChIInChI=1S/C20H21FN4O2/c1-12-10-19(24-23-12)22-20(27)8-9-25-13(2)17(14(3)26)11-18(25)15-4-6-16(21)7-5-15/h4-7,10-11H,8-9H2,1-3H3,(H2,22,23,24,27)
InChIKeyHGWKDKCWAVMXTG-UHFFFAOYSA-N
XLogP3.87
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide (CID 3235780) is 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide is CC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)Nc2cc(C)[nH]n2)c1C.
What is the InChIKey of 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is HGWKDKCWAVMXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-12-10-19(24-23-12)22-20(27)8-9-25-13(2)17(14(3)26)11-18(25)15-4-6-16(21)7-5-15/h4-7,10-11H,8-9H2,1-3H3,(H2,22,23,24,27).
What are the key properties of 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 368.41 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 3235780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).