N-(3-acetamido-4-fluorophenyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide

C26H23FN4O3 — CID 55532778

IUPACN-(3-acetamido-4-fluorophenyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(F)c(NC(C)=O)c2)cc1
InChIInChI=1S/C26H23FN4O3/c1-17(32)28-24-14-20(10-13-23(24)27)29-26(33)22-16-31(15-18-6-4-3-5-7-18)30-25(22)19-8-11-21(34-2)12-9-19/h3-14,16H,15H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyZJLLBSWAHDIMJI-UHFFFAOYSA-N
MW458.49 g/mol
LogP4.96
Rot. Bonds7

About N-(3-acetamido-4-fluorophenyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide

N-(3-acetamido-4-fluorophenyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 55532778) has the molecular formula C26H23FN4O3 and a molecular weight of 458.49 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
PubChem CID55532778
Molecular FormulaC26H23FN4O3
Molecular Weight458.49 g/mol
Exact Mass458.18
IUPAC NameN-(3-acetamido-4-fluorophenyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(F)c(NC(C)=O)c2)cc1
InChIInChI=1S/C26H23FN4O3/c1-17(32)28-24-14-20(10-13-23(24)27)29-26(33)22-16-31(15-18-6-4-3-5-7-18)30-25(22)19-8-11-21(34-2)12-9-19/h3-14,16H,15H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyZJLLBSWAHDIMJI-UHFFFAOYSA-N
XLogP4.96
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[4-fluoro-3-[(1R)-1-hydroxyethyl]phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 124882051
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CID 18204910
1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 30997182
1-benzyl-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)pyrazole-4-carboxamide
CID 43025551
N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936
1-benzyl-3-(4-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrazole-4-carboxamide
CID 55484396
1-benzyl-3-(4-methoxyphenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazole-4-carboxamide
CID 55961871
1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
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1-benzyl-3-(4-chlorophenyl)-N-[2-methyl-5-(propanoylamino)phenyl]pyrazole-4-carboxamide
CID 55780324
1-benzyl-N-(2,4-difluorophenyl)-3-phenylpyrazole-4-carboxamide
CID 9209390
1-benzyl-3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 32995513
N-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide (CID 55532778) is N-(3-acetamido-4-fluorophenyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide is COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(F)c(NC(C)=O)c2)cc1.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is ZJLLBSWAHDIMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O3/c1-17(32)28-24-14-20(10-13-23(24)27)29-26(33)22-16-31(15-18-6-4-3-5-7-18)30-25(22)19-8-11-21(34-2)12-9-19/h3-14,16H,15H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide?
N-(3-acetamido-4-fluorophenyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 458.49 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55532778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).