5-[(3-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

C24H19FN4O3 — CID 22330246

IUPAC5-[(3-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1cccc(F)c1
InChIInChI=1S/C24H19FN4O3/c1-32-21-13-6-5-12-20(21)27-24(31)19-15-26-29(18-10-3-2-4-11-18)22(19)28-23(30)16-8-7-9-17(25)14-16/h2-15H,1H3,(H,27,31)(H,28,30)
InChIKeyMTJHYXYFBDKNBN-UHFFFAOYSA-N
MW430.44 g/mol
LogP4.52
Rot. Bonds6

About 5-[(3-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

5-[(3-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 22330246) has the molecular formula C24H19FN4O3 and a molecular weight of 430.44 g/mol. Its IUPAC name is 5-[(3-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID22330246
Molecular FormulaC24H19FN4O3
Molecular Weight430.44 g/mol
Exact Mass430.14
IUPAC Name5-[(3-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1cccc(F)c1
InChIInChI=1S/C24H19FN4O3/c1-32-21-13-6-5-12-20(21)27-24(31)19-15-26-29(18-10-3-2-4-11-18)22(19)28-23(30)16-8-7-9-17(25)14-16/h2-15H,1H3,(H,27,31)(H,28,30)
InChIKeyMTJHYXYFBDKNBN-UHFFFAOYSA-N
XLogP4.52
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-[(3-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 22330246) is 5-[(3-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[(3-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-[(3-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1cccc(F)c1.
What is the InChIKey of 5-[(3-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is MTJHYXYFBDKNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3/c1-32-21-13-6-5-12-20(21)27-24(31)19-15-26-29(18-10-3-2-4-11-18)22(19)28-23(30)16-8-7-9-17(25)14-16/h2-15H,1H3,(H,27,31)(H,28,30).
What are the key properties of 5-[(3-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
5-[(3-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 430.44 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorobenzoyl)amino]-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 22330246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).