2-[[2-(3-fluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide

C20H19FN4O2 — CID 10044419

IUPAC2-[[2-(3-fluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide
SMILESCC(NC(=O)Cc1cccc(F)c1)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C20H19FN4O2/c1-13(22-19(26)11-14-6-5-9-16(21)10-14)20(27)23-18-12-17(24-25-18)15-7-3-2-4-8-15/h2-10,12-13H,11H2,1H3,(H,22,26)(H2,23,24,25,27)
InChIKeyPHERMHXZKBIIPV-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.90
Rot. Bonds6

About 2-[[2-(3-fluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide

2-[[2-(3-fluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide (PubChem CID 10044419) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-[[2-(3-fluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[[2-(3-fluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide
PubChem CID10044419
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name2-[[2-(3-fluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide
SMILESCC(NC(=O)Cc1cccc(F)c1)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C20H19FN4O2/c1-13(22-19(26)11-14-6-5-9-16(21)10-14)20(27)23-18-12-17(24-25-18)15-7-3-2-4-8-15/h2-10,12-13H,11H2,1H3,(H,22,26)(H2,23,24,25,27)
InChIKeyPHERMHXZKBIIPV-UHFFFAOYSA-N
XLogP2.90
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 2-[[2-(3-fluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide (CID 10044419) is 2-[[2-(3-fluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 2-[[2-(3-fluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 2-[[2-(3-fluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide is CC(NC(=O)Cc1cccc(F)c1)C(=O)Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of 2-[[2-(3-fluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is PHERMHXZKBIIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-13(22-19(26)11-14-6-5-9-16(21)10-14)20(27)23-18-12-17(24-25-18)15-7-3-2-4-8-15/h2-10,12-13H,11H2,1H3,(H,22,26)(H2,23,24,25,27).
What are the key properties of 2-[[2-(3-fluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide?
2-[[2-(3-fluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 366.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 10044419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).