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

C25H21FN4O3 — CID 55779610

IUPACN-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)n(-c3ccccc3)n2)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C25H21FN4O3/c1-16-13-22(29-30(16)20-9-4-3-5-10-20)25(32)27-19-11-12-23(33-2)21(15-19)28-24(31)17-7-6-8-18(26)14-17/h3-15H,1-2H3,(H,27,32)(H,28,31)
InChIKeyVZDKBCGPVWDZIX-UHFFFAOYSA-N
MW444.47 g/mol
LogP4.83
Rot. Bonds6

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

N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-5-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 55779610) has the molecular formula C25H21FN4O3 and a molecular weight of 444.47 g/mol. Its IUPAC name is N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-5-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID55779610
Molecular FormulaC25H21FN4O3
Molecular Weight444.47 g/mol
Exact Mass444.16
IUPAC NameN-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)n(-c3ccccc3)n2)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C25H21FN4O3/c1-16-13-22(29-30(16)20-9-4-3-5-10-20)25(32)27-19-11-12-23(33-2)21(15-19)28-24(31)17-7-6-8-18(26)14-17/h3-15H,1-2H3,(H,27,32)(H,28,31)
InChIKeyVZDKBCGPVWDZIX-UHFFFAOYSA-N
XLogP4.83
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-3-carboxamide
CID 55760872
2-fluoro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 46487214
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
CID 55725884
3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide
CID 55725735
3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid
CID 28667508
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 55725770
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55725650
2,3,5-trichloro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-hydroxybenzamide
CID 112827442
N-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide
CID 120559883
3-fluoro-N-[2-methoxy-5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]benzamide
CID 55725734
N-[5-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-methoxyphenyl]-3-fluorobenzamide
CID 55725477
N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide
CID 46487202

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-5-methyl-1-phenylpyrazole-3-carboxamide (CID 55779610) is N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-5-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-5-methyl-1-phenylpyrazole-3-carboxamide is COc1ccc(NC(=O)c2cc(C)n(-c3ccccc3)n2)cc1NC(=O)c1cccc(F)c1.
What is the InChIKey of N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is VZDKBCGPVWDZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O3/c1-16-13-22(29-30(16)20-9-4-3-5-10-20)25(32)27-19-11-12-23(33-2)21(15-19)28-24(31)17-7-6-8-18(26)14-17/h3-15H,1-2H3,(H,27,32)(H,28,31).
What are the key properties of N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-5-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 444.47 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-5-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 55779610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).