5-[(2-fluorobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide

C23H17FN4O2 — CID 1268334

IUPAC5-[(2-fluorobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccccc2)cnn1-c1ccccc1)c1ccccc1F
InChIInChI=1S/C23H17FN4O2/c24-20-14-8-7-13-18(20)22(29)27-21-19(23(30)26-16-9-3-1-4-10-16)15-25-28(21)17-11-5-2-6-12-17/h1-15H,(H,26,30)(H,27,29)
InChIKeyXGVSUMCHECPIIP-UHFFFAOYSA-N
MW400.41 g/mol
LogP4.52
Rot. Bonds5

About 5-[(2-fluorobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide

5-[(2-fluorobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide (PubChem CID 1268334) has the molecular formula C23H17FN4O2 and a molecular weight of 400.41 g/mol. Its IUPAC name is 5-[(2-fluorobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide
PubChem CID1268334
Molecular FormulaC23H17FN4O2
Molecular Weight400.41 g/mol
Exact Mass400.13
IUPAC Name5-[(2-fluorobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccccc2)cnn1-c1ccccc1)c1ccccc1F
InChIInChI=1S/C23H17FN4O2/c24-20-14-8-7-13-18(20)22(29)27-21-19(23(30)26-16-9-3-1-4-10-16)15-25-28(21)17-11-5-2-6-12-17/h1-15H,(H,26,30)(H,27,29)
InChIKeyXGVSUMCHECPIIP-UHFFFAOYSA-N
XLogP4.52
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide?
The IUPAC name of 5-[(2-fluorobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide (CID 1268334) is 5-[(2-fluorobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[(2-fluorobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide?
The canonical SMILES for 5-[(2-fluorobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide is O=C(Nc1c(C(=O)Nc2ccccc2)cnn1-c1ccccc1)c1ccccc1F.
What is the InChIKey of 5-[(2-fluorobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide?
The InChIKey is XGVSUMCHECPIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O2/c24-20-14-8-7-13-18(20)22(29)27-21-19(23(30)26-16-9-3-1-4-10-16)15-25-28(21)17-11-5-2-6-12-17/h1-15H,(H,26,30)(H,27,29).
What are the key properties of 5-[(2-fluorobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide?
5-[(2-fluorobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide has a molecular weight of 400.41 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorobenzoyl)amino]-N,1-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 1268334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).